(4-chloro-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-cyano-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;[3,5-difluoro-4-[(E)-pent-3-enyl]phenyl] 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,5-difluoro-4-propylphenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-ethoxy-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,4,5-trifluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate

C179H219ClF13NO13 — CID 159803945

IUPAC(4-chloro-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-cyano-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;[3,5-difluoro-4-[(E)-pent-3-enyl]phenyl] 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,5-difluoro-4-propylphenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-ethoxy-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,4,5-trifluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate
SMILESC/C=C/CCc1c(F)cc(OC(=O)C2CCC(C3CCC(C[C@H](C)c4ccccc4)CC3)CC2)cc1F.CCCc1c(F)cc(OC(=O)C2CCC(C3CCC(C[C@H](C)c4ccccc4)CC3)CC2)cc1F.CCOc1c(F)cc(OC(=O)C2CCC(C3CCC(C[C@H](C)c4ccccc4)CC3)CC2)cc1F.C[C@@H](CC1CCC(C2CCC(C(=O)Oc3cc(F)c(C#N)c(F)c3)CC2)CC1)c1ccccc1.C[C@@H](CC1CCC(C2CCC(C(=O)Oc3cc(F)c(Cl)c(F)c3)CC2)CC1)c1ccccc1.C[C@@H](CC1CCC(C2CCC(C(=O)Oc3cc(F)c(F)c(F)c3)CC2)CC1)c1ccccc1
InChIInChI=1S/C33H42F2O2.C31H40F2O2.C30H38F2O3.C29H33F2NO2.C28H33ClF2O2.C28H33F3O2/c1-3-4-6-11-30-31(34)21-29(22-32(30)35)37-33(36)28-18-16-27(17-19-28)26-14-12-24(13-15-26)20-23(2)25-9-7-5-8-10-25;1-3-7-28-29(32)19-27(20-30(28)33)35-31(34)26-16-14-25(15-17-26)24-12-10-22(11-13-24)18-21(2)23-8-5-4-6-9-23;1-3-34-29-27(31)18-26(19-28(29)32)35-30(33)25-15-13-24(14-16-25)23-11-9-21(10-12-23)17-20(2)22-7-5-4-6-8-22;1-19(21-5-3-2-4-6-21)15-20-7-9-22(10-8-20)23-11-13-24(14-12-23)29(33)34-25-16-27(30)26(18-32)28(31)17-25;1-18(20-5-3-2-4-6-20)15-19-7-9-21(10-8-19)22-11-13-23(14-12-22)28(32)33-24-16-25(30)27(29)26(31)17-24;1-18(20-5-3-2-4-6-20)15-19-7-9-21(10-8-19)22-11-13-23(14-12-22)28(32)33-24-16-25(29)27(31)26(30)17-24/h3-5,7-10,21-24,26-28H,6,11-20H2,1-2H3;4-6,8-9,19-22,24-26H,3,7,10-18H2,1-2H3;4-8,18-21,23-25H,3,9-17H2,1-2H3;2-6,16-17,19-20,22-24H,7-15H2,1H3;2*2-6,16-19,21-23H,7-15H2,1H3/b4-3+;;;;;/t23-,24?,26?,27?,28?;21-,22?,24?,25?,26?;20-,21?,23?,24?,25?;19-,20?,22?,23?,24?;2*18-,19?,21?,22?,23?/m000000/s1
InChIKeyNKDNETIQRYUWFU-BSPUFZQFSA-N
MW2875.14 g/mol
LogP49.58
Rot. Bonds43

About (4-chloro-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-cyano-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;[3,5-difluoro-4-[(E)-pent-3-enyl]phenyl] 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,5-difluoro-4-propylphenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-ethoxy-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,4,5-trifluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate

(4-chloro-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-cyano-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;[3,5-difluoro-4-[(E)-pent-3-enyl]phenyl] 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,5-difluoro-4-propylphenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-ethoxy-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,4,5-trifluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate (PubChem CID 159803945) has the molecular formula C179H219ClF13NO13 and a molecular weight of 2875.14 g/mol. Its IUPAC name is (4-chloro-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-cyano-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;[3,5-difluoro-4-[(E)-pent-3-enyl]phenyl] 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,5-difluoro-4-propylphenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-ethoxy-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,4,5-trifluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name(4-chloro-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-cyano-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;[3,5-difluoro-4-[(E)-pent-3-enyl]phenyl] 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,5-difluoro-4-propylphenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-ethoxy-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,4,5-trifluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate
PubChem CID159803945
Molecular FormulaC179H219ClF13NO13
Molecular Weight2875.14 g/mol
Exact Mass2872.60
IUPAC Name(4-chloro-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-cyano-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;[3,5-difluoro-4-[(E)-pent-3-enyl]phenyl] 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,5-difluoro-4-propylphenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-ethoxy-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,4,5-trifluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate
SMILESC/C=C/CCc1c(F)cc(OC(=O)C2CCC(C3CCC(C[C@H](C)c4ccccc4)CC3)CC2)cc1F.CCCc1c(F)cc(OC(=O)C2CCC(C3CCC(C[C@H](C)c4ccccc4)CC3)CC2)cc1F.CCOc1c(F)cc(OC(=O)C2CCC(C3CCC(C[C@H](C)c4ccccc4)CC3)CC2)cc1F.C[C@@H](CC1CCC(C2CCC(C(=O)Oc3cc(F)c(C#N)c(F)c3)CC2)CC1)c1ccccc1.C[C@@H](CC1CCC(C2CCC(C(=O)Oc3cc(F)c(Cl)c(F)c3)CC2)CC1)c1ccccc1.C[C@@H](CC1CCC(C2CCC(C(=O)Oc3cc(F)c(F)c(F)c3)CC2)CC1)c1ccccc1
InChIInChI=1S/C33H42F2O2.C31H40F2O2.C30H38F2O3.C29H33F2NO2.C28H33ClF2O2.C28H33F3O2/c1-3-4-6-11-30-31(34)21-29(22-32(30)35)37-33(36)28-18-16-27(17-19-28)26-14-12-24(13-15-26)20-23(2)25-9-7-5-8-10-25;1-3-7-28-29(32)19-27(20-30(28)33)35-31(34)26-16-14-25(15-17-26)24-12-10-22(11-13-24)18-21(2)23-8-5-4-6-9-23;1-3-34-29-27(31)18-26(19-28(29)32)35-30(33)25-15-13-24(14-16-25)23-11-9-21(10-12-23)17-20(2)22-7-5-4-6-8-22;1-19(21-5-3-2-4-6-21)15-20-7-9-22(10-8-20)23-11-13-24(14-12-23)29(33)34-25-16-27(30)26(18-32)28(31)17-25;1-18(20-5-3-2-4-6-20)15-19-7-9-21(10-8-19)22-11-13-23(14-12-22)28(32)33-24-16-25(30)27(29)26(31)17-24;1-18(20-5-3-2-4-6-20)15-19-7-9-21(10-8-19)22-11-13-23(14-12-22)28(32)33-24-16-25(29)27(31)26(30)17-24/h3-5,7-10,21-24,26-28H,6,11-20H2,1-2H3;4-6,8-9,19-22,24-26H,3,7,10-18H2,1-2H3;4-8,18-21,23-25H,3,9-17H2,1-2H3;2-6,16-17,19-20,22-24H,7-15H2,1H3;2*2-6,16-19,21-23H,7-15H2,1H3/b4-3+;;;;;/t23-,24?,26?,27?,28?;21-,22?,24?,25?,26?;20-,21?,23?,24?,25?;19-,20?,22?,23?,24?;2*18-,19?,21?,22?,23?/m000000/s1
InChIKeyNKDNETIQRYUWFU-BSPUFZQFSA-N
XLogP49.58
TPSA190.82 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds43
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002875.14
LogP ≤ 549.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (4-chloro-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-cyano-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;[3,5-difluoro-4-[(E)-pent-3-enyl]phenyl] 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,5-difluoro-4-propylphenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-ethoxy-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,4,5-trifluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloro-3,5-difluorophenyl) 4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexane-1-carboxylate;(4-cyano-3,5-difluorophenyl) 4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexane-1-carboxylate;[3,5-difluoro-4-[(E)-pent-3-enyl]phenyl] 4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexane-1-carboxylate;(3,5-difluoro-4-propylphenyl) 4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexane-1-carboxylate;(4-ethoxy-3,5-difluorophenyl) 4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexane-1-carboxylate;(3,4,5-trifluorophenyl) 4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexane-1-carboxylate
CID 159921955
(4-chloro-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]phenyl]benzoate;(4-cyano-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]phenyl]benzoate;[3,5-difluoro-4-[(E)-pent-3-enyl]phenyl] 4-[4-[(2S)-2-phenylpropyl]phenyl]benzoate;(3,5-difluoro-4-propylphenyl) 4-[4-[(2S)-2-phenylpropyl]phenyl]benzoate;(4-ethoxy-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]phenyl]benzoate;(3,4,5-trifluorophenyl) 4-[4-[(2S)-2-phenylpropyl]phenyl]benzoate
CID 157143259
(3-fluoro-4-propylphenyl) 4-[4-(2-phenylpropyl)cyclohexyl]cyclohexane-1-carboxylate
CID 21052923
(4-cyano-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]phenyl]cyclohexane-1-carboxylate
CID 58699457
(3,5-difluoro-4-propylphenyl) 4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexane-1-carboxylate
CID 58698280
1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
CID 90787490
1,3-difluoro-2-[(E)-pent-3-enyl]-5-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 58698753
(4-ethoxy-3,5-difluorophenyl) 4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexane-1-carboxylate
CID 58698364
(4-ethoxy-3,5-difluorophenyl) 2,6-difluoro-4-[4-[(2S)-2-phenylpropyl]cyclohexyl]benzoate
CID 58698469
(4-cyano-3,5-difluorophenyl) 2,6-difluoro-4-[4-[(2S)-2-phenylpropyl]cyclohexyl]benzoate
CID 58698083
(4-ethoxy-3,5-difluorophenyl) 2-fluoro-4-[4-(2-phenylpropyl)cyclohexyl]benzoate
CID 21053041
(3,5-difluoro-4-propylphenyl) 2-fluoro-4-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzoate
CID 58698101

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-cyano-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;[3,5-difluoro-4-[(E)-pent-3-enyl]phenyl] 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,5-difluoro-4-propylphenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-ethoxy-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,4,5-trifluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate?
The IUPAC name of (4-chloro-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-cyano-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;[3,5-difluoro-4-[(E)-pent-3-enyl]phenyl] 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,5-difluoro-4-propylphenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-ethoxy-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,4,5-trifluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate (CID 159803945) is (4-chloro-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-cyano-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;[3,5-difluoro-4-[(E)-pent-3-enyl]phenyl] 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,5-difluoro-4-propylphenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-ethoxy-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,4,5-trifluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate.
What is the SMILES notation for (4-chloro-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-cyano-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;[3,5-difluoro-4-[(E)-pent-3-enyl]phenyl] 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,5-difluoro-4-propylphenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-ethoxy-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,4,5-trifluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate?
The canonical SMILES for (4-chloro-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-cyano-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;[3,5-difluoro-4-[(E)-pent-3-enyl]phenyl] 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,5-difluoro-4-propylphenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-ethoxy-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,4,5-trifluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate is C/C=C/CCc1c(F)cc(OC(=O)C2CCC(C3CCC(C[C@H](C)c4ccccc4)CC3)CC2)cc1F.CCCc1c(F)cc(OC(=O)C2CCC(C3CCC(C[C@H](C)c4ccccc4)CC3)CC2)cc1F.CCOc1c(F)cc(OC(=O)C2CCC(C3CCC(C[C@H](C)c4ccccc4)CC3)CC2)cc1F.C[C@@H](CC1CCC(C2CCC(C(=O)Oc3cc(F)c(C#N)c(F)c3)CC2)CC1)c1ccccc1.C[C@@H](CC1CCC(C2CCC(C(=O)Oc3cc(F)c(Cl)c(F)c3)CC2)CC1)c1ccccc1.C[C@@H](CC1CCC(C2CCC(C(=O)Oc3cc(F)c(F)c(F)c3)CC2)CC1)c1ccccc1.
What is the InChIKey of (4-chloro-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-cyano-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;[3,5-difluoro-4-[(E)-pent-3-enyl]phenyl] 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,5-difluoro-4-propylphenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-ethoxy-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,4,5-trifluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate?
The InChIKey is NKDNETIQRYUWFU-BSPUFZQFSA-N. The full InChI is InChI=1S/C33H42F2O2.C31H40F2O2.C30H38F2O3.C29H33F2NO2.C28H33ClF2O2.C28H33F3O2/c1-3-4-6-11-30-31(34)21-29(22-32(30)35)37-33(36)28-18-16-27(17-19-28)26-14-12-24(13-15-26)20-23(2)25-9-7-5-8-10-25;1-3-7-28-29(32)19-27(20-30(28)33)35-31(34)26-16-14-25(15-17-26)24-12-10-22(11-13-24)18-21(2)23-8-5-4-6-9-23;1-3-34-29-27(31)18-26(19-28(29)32)35-30(33)25-15-13-24(14-16-25)23-11-9-21(10-12-23)17-20(2)22-7-5-4-6-8-22;1-19(21-5-3-2-4-6-21)15-20-7-9-22(10-8-20)23-11-13-24(14-12-23)29(33)34-25-16-27(30)26(18-32)28(31)17-25;1-18(20-5-3-2-4-6-20)15-19-7-9-21(10-8-19)22-11-13-23(14-12-22)28(32)33-24-16-25(30)27(29)26(31)17-24;1-18(20-5-3-2-4-6-20)15-19-7-9-21(10-8-19)22-11-13-23(14-12-22)28(32)33-24-16-25(29)27(31)26(30)17-24/h3-5,7-10,21-24,26-28H,6,11-20H2,1-2H3;4-6,8-9,19-22,24-26H,3,7,10-18H2,1-2H3;4-8,18-21,23-25H,3,9-17H2,1-2H3;2-6,16-17,19-20,22-24H,7-15H2,1H3;2*2-6,16-19,21-23H,7-15H2,1H3/b4-3+;;;;;/t23-,24?,26?,27?,28?;21-,22?,24?,25?,26?;20-,21?,23?,24?,25?;19-,20?,22?,23?,24?;2*18-,19?,21?,22?,23?/m000000/s1.
What are the key properties of (4-chloro-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-cyano-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;[3,5-difluoro-4-[(E)-pent-3-enyl]phenyl] 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,5-difluoro-4-propylphenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-ethoxy-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,4,5-trifluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate?
(4-chloro-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-cyano-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;[3,5-difluoro-4-[(E)-pent-3-enyl]phenyl] 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,5-difluoro-4-propylphenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-ethoxy-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,4,5-trifluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate has a molecular weight of 2875.14 g/mol, XLogP of 49.58, 43 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-cyano-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;[3,5-difluoro-4-[(E)-pent-3-enyl]phenyl] 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,5-difluoro-4-propylphenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(4-ethoxy-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate;(3,4,5-trifluorophenyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 159803945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).