1,3-difluoro-2-[(2R)-2-phenylpropyl]-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzene

C32H38F2 — CID 58698060

IUPAC1,3-difluoro-2-[(2R)-2-phenylpropyl]-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzene
SMILESCCCc1ccc(C2CCC(CCc3cc(F)c(C[C@@H](C)c4ccccc4)c(F)c3)CC2)cc1
InChIInChI=1S/C32H38F2/c1-3-7-24-12-16-28(17-13-24)29-18-14-25(15-19-29)10-11-26-21-31(33)30(32(34)22-26)20-23(2)27-8-5-4-6-9-27/h4-6,8-9,12-13,16-17,21-23,25,29H,3,7,10-11,14-15,18-20H2,1-2H3/t23-,25?,29?/m1/s1
InChIKeyXDMUZLNVYYAXBD-HDBHMUMLSA-N
MW460.65 g/mol
LogP9.17
Rot. Bonds9

About 1,3-difluoro-2-[(2R)-2-phenylpropyl]-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzene

1,3-difluoro-2-[(2R)-2-phenylpropyl]-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzene (PubChem CID 58698060) has the molecular formula C32H38F2 and a molecular weight of 460.65 g/mol. Its IUPAC name is 1,3-difluoro-2-[(2R)-2-phenylpropyl]-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-2-[(2R)-2-phenylpropyl]-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzene
PubChem CID58698060
Molecular FormulaC32H38F2
Molecular Weight460.65 g/mol
Exact Mass460.29
IUPAC Name1,3-difluoro-2-[(2R)-2-phenylpropyl]-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzene
SMILESCCCc1ccc(C2CCC(CCc3cc(F)c(C[C@@H](C)c4ccccc4)c(F)c3)CC2)cc1
InChIInChI=1S/C32H38F2/c1-3-7-24-12-16-28(17-13-24)29-18-14-25(15-19-29)10-11-26-21-31(33)30(32(34)22-26)20-23(2)27-8-5-4-6-9-27/h4-6,8-9,12-13,16-17,21-23,25,29H,3,7,10-11,14-15,18-20H2,1-2H3/t23-,25?,29?/m1/s1
InChIKeyXDMUZLNVYYAXBD-HDBHMUMLSA-N
XLogP9.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.65
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-difluoro-5-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]-2-[(2R)-2-phenylpropyl]benzene
CID 58699300
1,2,3-trifluoro-5-[2-[4-[4-(2-phenylpropyl)phenyl]cyclohexyl]ethyl]benzene
CID 21052402
4-[2-[4-[3,5-difluoro-4-[(2S)-2-phenylpropyl]phenyl]cyclohexyl]ethyl]benzonitrile
CID 58699075
1,3-difluoro-5-[4-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]cyclohexyl]-2-[(2S)-2-phenylpropyl]benzene
CID 58698580
1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene
CID 58698224
1,3-difluoro-2-[(2R)-2-(2-fluoro-4-propylphenyl)propyl]-5-(4-propylcyclohexyl)benzene
CID 139753518
1,3-difluoro-5-[2-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]ethyl]-2-propylbenzene
CID 21052521
1-ethoxy-4-[2-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]ethyl]benzene
CID 58699027
5-[4-(4-chlorophenyl)cyclohexyl]-1,3-difluoro-2-[(2R)-2-phenylpropyl]benzene
CID 58698585
1-[(E)-pent-3-enyl]-4-[2-[4-[4-(2-phenylpropyl)phenyl]cyclohexyl]ethyl]benzene
CID 21052664
2,6-difluoro-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]phenyl]ethyl]benzonitrile
CID 58699182
2-fluoro-4-[2-[4-(2-phenylpropyl)cyclohexyl]ethyl]-1-[(E)-2-(4-propylphenyl)ethenyl]benzene
CID 21052816

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-[(2R)-2-phenylpropyl]-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzene?
The IUPAC name of 1,3-difluoro-2-[(2R)-2-phenylpropyl]-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzene (CID 58698060) is 1,3-difluoro-2-[(2R)-2-phenylpropyl]-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzene.
What is the SMILES notation for 1,3-difluoro-2-[(2R)-2-phenylpropyl]-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzene?
The canonical SMILES for 1,3-difluoro-2-[(2R)-2-phenylpropyl]-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzene is CCCc1ccc(C2CCC(CCc3cc(F)c(C[C@@H](C)c4ccccc4)c(F)c3)CC2)cc1.
What is the InChIKey of 1,3-difluoro-2-[(2R)-2-phenylpropyl]-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzene?
The InChIKey is XDMUZLNVYYAXBD-HDBHMUMLSA-N. The full InChI is InChI=1S/C32H38F2/c1-3-7-24-12-16-28(17-13-24)29-18-14-25(15-19-29)10-11-26-21-31(33)30(32(34)22-26)20-23(2)27-8-5-4-6-9-27/h4-6,8-9,12-13,16-17,21-23,25,29H,3,7,10-11,14-15,18-20H2,1-2H3/t23-,25?,29?/m1/s1.
What are the key properties of 1,3-difluoro-2-[(2R)-2-phenylpropyl]-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzene?
1,3-difluoro-2-[(2R)-2-phenylpropyl]-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzene has a molecular weight of 460.65 g/mol, XLogP of 9.17, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-[(2R)-2-phenylpropyl]-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzene is sourced from PubChem (CID 58698060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).