4-cyclohexyl-1-[4-(cyclohexylmethyl)phenyl]-2-fluorobenzene

C25H31F — CID 134447488

IUPAC4-cyclohexyl-1-[4-(cyclohexylmethyl)phenyl]-2-fluorobenzene
SMILESFc1cc(C2CCCCC2)ccc1-c1ccc(CC2CCCCC2)cc1
InChIInChI=1S/C25H31F/c26-25-18-23(21-9-5-2-6-10-21)15-16-24(25)22-13-11-20(12-14-22)17-19-7-3-1-4-8-19/h11-16,18-19,21H,1-10,17H2
InChIKeyBRKRGBXVZDRCNY-UHFFFAOYSA-N
MW350.52 g/mol
LogP7.66
Rot. Bonds4

About 4-cyclohexyl-1-[4-(cyclohexylmethyl)phenyl]-2-fluorobenzene

4-cyclohexyl-1-[4-(cyclohexylmethyl)phenyl]-2-fluorobenzene (PubChem CID 134447488) has the molecular formula C25H31F and a molecular weight of 350.52 g/mol. Its IUPAC name is 4-cyclohexyl-1-[4-(cyclohexylmethyl)phenyl]-2-fluorobenzene.

Molecular Properties

Compound Name4-cyclohexyl-1-[4-(cyclohexylmethyl)phenyl]-2-fluorobenzene
PubChem CID134447488
Molecular FormulaC25H31F
Molecular Weight350.52 g/mol
Exact Mass350.24
IUPAC Name4-cyclohexyl-1-[4-(cyclohexylmethyl)phenyl]-2-fluorobenzene
SMILESFc1cc(C2CCCCC2)ccc1-c1ccc(CC2CCCCC2)cc1
InChIInChI=1S/C25H31F/c26-25-18-23(21-9-5-2-6-10-21)15-16-24(25)22-13-11-20(12-14-22)17-19-7-3-1-4-8-19/h11-16,18-19,21H,1-10,17H2
InChIKeyBRKRGBXVZDRCNY-UHFFFAOYSA-N
XLogP7.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.52
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-[4-(cyclohexylmethyl)phenyl]-2-fluorobenzene?
The IUPAC name of 4-cyclohexyl-1-[4-(cyclohexylmethyl)phenyl]-2-fluorobenzene (CID 134447488) is 4-cyclohexyl-1-[4-(cyclohexylmethyl)phenyl]-2-fluorobenzene.
What is the SMILES notation for 4-cyclohexyl-1-[4-(cyclohexylmethyl)phenyl]-2-fluorobenzene?
The canonical SMILES for 4-cyclohexyl-1-[4-(cyclohexylmethyl)phenyl]-2-fluorobenzene is Fc1cc(C2CCCCC2)ccc1-c1ccc(CC2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-1-[4-(cyclohexylmethyl)phenyl]-2-fluorobenzene?
The InChIKey is BRKRGBXVZDRCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F/c26-25-18-23(21-9-5-2-6-10-21)15-16-24(25)22-13-11-20(12-14-22)17-19-7-3-1-4-8-19/h11-16,18-19,21H,1-10,17H2.
What are the key properties of 4-cyclohexyl-1-[4-(cyclohexylmethyl)phenyl]-2-fluorobenzene?
4-cyclohexyl-1-[4-(cyclohexylmethyl)phenyl]-2-fluorobenzene has a molecular weight of 350.52 g/mol, XLogP of 7.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-[4-(cyclohexylmethyl)phenyl]-2-fluorobenzene is sourced from PubChem (CID 134447488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).