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

C27H35F — CID 21052652

IUPAC1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]benzene
SMILESCC(CC1CCC(C2CCC(c3ccc(F)cc3)CC2)CC1)c1ccccc1
InChIInChI=1S/C27H35F/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/h2-6,15-18,20-21,23-25H,7-14,19H2,1H3
InChIKeyBTEIUMOPLGCABA-UHFFFAOYSA-N
MW378.57 g/mol
LogP8.10
Rot. Bonds5

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

1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]benzene (PubChem CID 21052652) has the molecular formula C27H35F and a molecular weight of 378.57 g/mol. Its IUPAC name is 1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]benzene
PubChem CID21052652
Molecular FormulaC27H35F
Molecular Weight378.57 g/mol
Exact Mass378.27
IUPAC Name1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]benzene
SMILESCC(CC1CCC(C2CCC(c3ccc(F)cc3)CC2)CC1)c1ccccc1
InChIInChI=1S/C27H35F/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/h2-6,15-18,20-21,23-25H,7-14,19H2,1H3
InChIKeyBTEIUMOPLGCABA-UHFFFAOYSA-N
XLogP8.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.57
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Fluorobiphenyl
CID 67579
Benzene, 1,1',1'',1'''-(1,3-butadiene-1,4-diylidene)tetrakis-
CID 74060
Triphenylmethane
CID 10614
1,1,1-Triphenylethane
CID 78926
p-Quaterphenyl
CID 8677
Quaterphenyl
CID 14422
Tetraphenylethylene
CID 69437
Benzene, ethyl(phenylethyl)-, mono-ar-ethyl deriv.
CID 521817
meso-2,3-Diphenylbutane
CID 20735
4-Isopropylbiphenyl
CID 23503
1,1-Diphenyl-2-methylpropane
CID 274386
4-Fluorobiphenyl
CID 9461

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]benzene?
The IUPAC name of 1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]benzene (CID 21052652) is 1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]benzene.
What is the SMILES notation for 1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]benzene?
The canonical SMILES for 1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]benzene is CC(CC1CCC(C2CCC(c3ccc(F)cc3)CC2)CC1)c1ccccc1.
What is the InChIKey of 1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]benzene?
The InChIKey is BTEIUMOPLGCABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35F/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/h2-6,15-18,20-21,23-25H,7-14,19H2,1H3.
What are the key properties of 1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]benzene?
1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]benzene has a molecular weight of 378.57 g/mol, XLogP of 8.10, 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]cyclohexyl]benzene is sourced from PubChem (CID 21052652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).