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

C29H31F3 — CID 58699300

IUPAC1,3-difluoro-5-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]-2-[(2R)-2-phenylpropyl]benzene
SMILESC[C@H](Cc1c(F)cc(C2CCC(CCc3ccc(F)cc3)CC2)cc1F)c1ccccc1
InChIInChI=1S/C29H31F3/c1-20(23-5-3-2-4-6-23)17-27-28(31)18-25(19-29(27)32)24-13-9-21(10-14-24)7-8-22-11-15-26(30)16-12-22/h2-6,11-12,15-16,18-21,24H,7-10,13-14,17H2,1H3/t20-,21?,24?/m1/s1
InChIKeyGOIIVFPBNALWQM-UZGSZPBKSA-N
MW436.56 g/mol
LogP8.36
Rot. Bonds7

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

1,3-difluoro-5-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]-2-[(2R)-2-phenylpropyl]benzene (PubChem CID 58699300) has the molecular formula C29H31F3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 1,3-difluoro-5-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]-2-[(2R)-2-phenylpropyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-5-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]-2-[(2R)-2-phenylpropyl]benzene
PubChem CID58699300
Molecular FormulaC29H31F3
Molecular Weight436.56 g/mol
Exact Mass436.24
IUPAC Name1,3-difluoro-5-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]-2-[(2R)-2-phenylpropyl]benzene
SMILESC[C@H](Cc1c(F)cc(C2CCC(CCc3ccc(F)cc3)CC2)cc1F)c1ccccc1
InChIInChI=1S/C29H31F3/c1-20(23-5-3-2-4-6-23)17-27-28(31)18-25(19-29(27)32)24-13-9-21(10-14-24)7-8-22-11-15-26(30)16-12-22/h2-6,11-12,15-16,18-21,24H,7-10,13-14,17H2,1H3/t20-,21?,24?/m1/s1
InChIKeyGOIIVFPBNALWQM-UZGSZPBKSA-N
XLogP8.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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
1,3-difluoro-2-[(2R)-2-phenylpropyl]-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzene
CID 58698060
1,2,3-trifluoro-5-[2-[4-[4-(2-phenylpropyl)phenyl]cyclohexyl]ethyl]benzene
CID 21052402
1,3-difluoro-5-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]-2-[(2S)-2-phenylpropyl]benzene
CID 58698259
5-[4-(4-chlorophenyl)cyclohexyl]-1,3-difluoro-2-[(2R)-2-phenylpropyl]benzene
CID 58698585
1-fluoro-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]ethenyl]benzene
CID 58698899
(4-pent-3-enylcyclohexyl) 4-[3,5-difluoro-4-[(2S)-2-phenylpropyl]phenyl]cyclohexane-1-carboxylate
CID 91358689
1,3-difluoro-2-[(2R)-2-(2-fluoro-4-propylphenyl)propyl]-5-(4-propylcyclohexyl)benzene
CID 139753518
1,3-difluoro-2-pent-3-enyl-5-[4-[2-[4-[(2R)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 91318136
1-ethoxy-4-[2-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]ethyl]benzene
CID 58699027
1-[(E)-pent-3-enyl]-4-[2-[4-[4-(2-phenylpropyl)phenyl]cyclohexyl]ethyl]benzene
CID 21052664

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]-2-[(2R)-2-phenylpropyl]benzene?
The IUPAC name of 1,3-difluoro-5-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]-2-[(2R)-2-phenylpropyl]benzene (CID 58699300) is 1,3-difluoro-5-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]-2-[(2R)-2-phenylpropyl]benzene.
What is the SMILES notation for 1,3-difluoro-5-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]-2-[(2R)-2-phenylpropyl]benzene?
The canonical SMILES for 1,3-difluoro-5-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]-2-[(2R)-2-phenylpropyl]benzene is C[C@H](Cc1c(F)cc(C2CCC(CCc3ccc(F)cc3)CC2)cc1F)c1ccccc1.
What is the InChIKey of 1,3-difluoro-5-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]-2-[(2R)-2-phenylpropyl]benzene?
The InChIKey is GOIIVFPBNALWQM-UZGSZPBKSA-N. The full InChI is InChI=1S/C29H31F3/c1-20(23-5-3-2-4-6-23)17-27-28(31)18-25(19-29(27)32)24-13-9-21(10-14-24)7-8-22-11-15-26(30)16-12-22/h2-6,11-12,15-16,18-21,24H,7-10,13-14,17H2,1H3/t20-,21?,24?/m1/s1.
What are the key properties of 1,3-difluoro-5-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]-2-[(2R)-2-phenylpropyl]benzene?
1,3-difluoro-5-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]-2-[(2R)-2-phenylpropyl]benzene has a molecular weight of 436.56 g/mol, XLogP of 8.36, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]-2-[(2R)-2-phenylpropyl]benzene is sourced from PubChem (CID 58699300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).