1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzene

C27H29F — CID 21052589

IUPAC1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzene
SMILESCC(CC1CCC(c2ccc(-c3ccc(F)cc3)cc2)CC1)c1ccccc1
InChIInChI=1S/C27H29F/c1-20(22-5-3-2-4-6-22)19-21-7-9-23(10-8-21)24-11-13-25(14-12-24)26-15-17-27(28)18-16-26/h2-6,11-18,20-21,23H,7-10,19H2,1H3
InChIKeyXLSSHLPGJGMKJL-UHFFFAOYSA-N
MW372.53 g/mol
LogP7.96
Rot. Bonds5

About 1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzene

1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzene (PubChem CID 21052589) has the molecular formula C27H29F and a molecular weight of 372.53 g/mol. Its IUPAC name is 1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzene
PubChem CID21052589
Molecular FormulaC27H29F
Molecular Weight372.53 g/mol
Exact Mass372.23
IUPAC Name1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzene
SMILESCC(CC1CCC(c2ccc(-c3ccc(F)cc3)cc2)CC1)c1ccccc1
InChIInChI=1S/C27H29F/c1-20(22-5-3-2-4-6-22)19-21-7-9-23(10-8-21)24-11-13-25(14-12-24)26-15-17-27(28)18-16-26/h2-6,11-18,20-21,23H,7-10,19H2,1H3
InChIKeyXLSSHLPGJGMKJL-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.53
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]benzene
CID 21052652
1-methyl-4-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene
CID 163627062
4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzonitrile
CID 21052969
2-fluoro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]-1-propylbenzene
CID 58699243
2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-[(2S)-2-phenylpropyl]cyclohexyl]benzene
CID 58698614
1-[(E)-pent-3-enyl]-4-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]phenyl]benzene
CID 58698248
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
CID 58698353
2-fluoro-1-pent-3-enyl-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]benzene
CID 90730414
2-(4-chloro-3-fluorophenyl)-1,3-difluoro-5-[4-[(2S)-2-phenylpropyl]cyclohexyl]benzene
CID 58698659
2-(4-ethoxy-3,5-difluorophenyl)-1,3-difluoro-5-[4-[(2S)-2-phenylpropyl]cyclohexyl]benzene
CID 58699195
1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene
CID 58698224

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzene?
The IUPAC name of 1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzene (CID 21052589) is 1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzene.
What is the SMILES notation for 1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzene?
The canonical SMILES for 1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzene is CC(CC1CCC(c2ccc(-c3ccc(F)cc3)cc2)CC1)c1ccccc1.
What is the InChIKey of 1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzene?
The InChIKey is XLSSHLPGJGMKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F/c1-20(22-5-3-2-4-6-22)19-21-7-9-23(10-8-21)24-11-13-25(14-12-24)26-15-17-27(28)18-16-26/h2-6,11-18,20-21,23H,7-10,19H2,1H3.
What are the key properties of 1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzene?
1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzene has a molecular weight of 372.53 g/mol, XLogP of 7.96, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzene is sourced from PubChem (CID 21052589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).