1,3-difluoro-2-[(2R)-2-(2-fluoro-4-propylphenyl)propyl]-5-(4-propylcyclohexyl)benzene

C27H35F3 — CID 139753518

IUPAC1,3-difluoro-2-[(2R)-2-(2-fluoro-4-propylphenyl)propyl]-5-(4-propylcyclohexyl)benzene
SMILESCCCc1ccc([C@H](C)Cc2c(F)cc(C3CCC(CCC)CC3)cc2F)c(F)c1
InChIInChI=1S/C27H35F3/c1-4-6-19-8-11-21(12-9-19)22-16-26(29)24(27(30)17-22)14-18(3)23-13-10-20(7-5-2)15-25(23)28/h10,13,15-19,21H,4-9,11-12,14H2,1-3H3/t18-,19?,21?/m1/s1
InChIKeyMNPXKBGBTZFZMI-LWEYNCJUSA-N
MW416.57 g/mol
LogP8.48
Rot. Bonds8

About 1,3-difluoro-2-[(2R)-2-(2-fluoro-4-propylphenyl)propyl]-5-(4-propylcyclohexyl)benzene

1,3-difluoro-2-[(2R)-2-(2-fluoro-4-propylphenyl)propyl]-5-(4-propylcyclohexyl)benzene (PubChem CID 139753518) has the molecular formula C27H35F3 and a molecular weight of 416.57 g/mol. Its IUPAC name is 1,3-difluoro-2-[(2R)-2-(2-fluoro-4-propylphenyl)propyl]-5-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-2-[(2R)-2-(2-fluoro-4-propylphenyl)propyl]-5-(4-propylcyclohexyl)benzene
PubChem CID139753518
Molecular FormulaC27H35F3
Molecular Weight416.57 g/mol
Exact Mass416.27
IUPAC Name1,3-difluoro-2-[(2R)-2-(2-fluoro-4-propylphenyl)propyl]-5-(4-propylcyclohexyl)benzene
SMILESCCCc1ccc([C@H](C)Cc2c(F)cc(C3CCC(CCC)CC3)cc2F)c(F)c1
InChIInChI=1S/C27H35F3/c1-4-6-19-8-11-21(12-9-19)22-16-26(29)24(27(30)17-22)14-18(3)23-13-10-20(7-5-2)15-25(23)28/h10,13,15-19,21H,4-9,11-12,14H2,1-3H3/t18-,19?,21?/m1/s1
InChIKeyMNPXKBGBTZFZMI-LWEYNCJUSA-N
XLogP8.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-difluoro-2-[(2R)-2-phenylpropyl]-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzene
CID 58698060
1,3-difluoro-5-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]-2-[(2R)-2-phenylpropyl]benzene
CID 58699300
2-(2-fluoro-4-propylphenyl)-5-(4-propylcyclohexyl)pyridine
CID 19101251
2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propyl-1,2,3,4-tetrahydronaphthalene
CID 139849018
2-fluoro-4-propyl-1-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]benzene
CID 67943668
2-butyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 67847934
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-(fluoromethyl)-5-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]benzene
CID 70821004
2-fluoro-4-(4-propylcyclohexyl)-1-[2-(4-propylphenyl)ethynyl]benzene
CID 14365889
2-chloro-1,3-difluoro-5-[2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethyl]benzene
CID 54430523
2-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methyl]-1,3-difluoro-5-(4-propylcyclohexyl)benzene
CID 139748673

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-[(2R)-2-(2-fluoro-4-propylphenyl)propyl]-5-(4-propylcyclohexyl)benzene?
The IUPAC name of 1,3-difluoro-2-[(2R)-2-(2-fluoro-4-propylphenyl)propyl]-5-(4-propylcyclohexyl)benzene (CID 139753518) is 1,3-difluoro-2-[(2R)-2-(2-fluoro-4-propylphenyl)propyl]-5-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 1,3-difluoro-2-[(2R)-2-(2-fluoro-4-propylphenyl)propyl]-5-(4-propylcyclohexyl)benzene?
The canonical SMILES for 1,3-difluoro-2-[(2R)-2-(2-fluoro-4-propylphenyl)propyl]-5-(4-propylcyclohexyl)benzene is CCCc1ccc([C@H](C)Cc2c(F)cc(C3CCC(CCC)CC3)cc2F)c(F)c1.
What is the InChIKey of 1,3-difluoro-2-[(2R)-2-(2-fluoro-4-propylphenyl)propyl]-5-(4-propylcyclohexyl)benzene?
The InChIKey is MNPXKBGBTZFZMI-LWEYNCJUSA-N. The full InChI is InChI=1S/C27H35F3/c1-4-6-19-8-11-21(12-9-19)22-16-26(29)24(27(30)17-22)14-18(3)23-13-10-20(7-5-2)15-25(23)28/h10,13,15-19,21H,4-9,11-12,14H2,1-3H3/t18-,19?,21?/m1/s1.
What are the key properties of 1,3-difluoro-2-[(2R)-2-(2-fluoro-4-propylphenyl)propyl]-5-(4-propylcyclohexyl)benzene?
1,3-difluoro-2-[(2R)-2-(2-fluoro-4-propylphenyl)propyl]-5-(4-propylcyclohexyl)benzene has a molecular weight of 416.57 g/mol, XLogP of 8.48, 8 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-(2-fluoro-4-propylphenyl)propyl]-5-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 139753518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).