2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene

C32H39F — CID 15131436

IUPAC2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene
SMILESCCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(CCC)cc4)c(F)c3)cc2)CC1
InChIInChI=1S/C32H39F/c1-3-5-6-8-25-9-13-26(14-10-25)27-17-19-28(20-18-27)30-21-22-31(32(33)23-30)29-15-11-24(7-4-2)12-16-29/h11-12,15-23,25-26H,3-10,13-14H2,1-2H3
InChIKeyKXTRPBKEKFJAMU-UHFFFAOYSA-N
MW442.66 g/mol
LogP9.97
Rot. Bonds9

About 2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene

2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene (PubChem CID 15131436) has the molecular formula C32H39F and a molecular weight of 442.66 g/mol. Its IUPAC name is 2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene.

Molecular Properties

Compound Name2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene
PubChem CID15131436
Molecular FormulaC32H39F
Molecular Weight442.66 g/mol
Exact Mass442.30
IUPAC Name2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene
SMILESCCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(CCC)cc4)c(F)c3)cc2)CC1
InChIInChI=1S/C32H39F/c1-3-5-6-8-25-9-13-26(14-10-25)27-17-19-28(20-18-27)30-21-22-31(32(33)23-30)29-15-11-24(7-4-2)12-16-29/h11-12,15-23,25-26H,3-10,13-14H2,1-2H3
InChIKeyKXTRPBKEKFJAMU-UHFFFAOYSA-N
XLogP9.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.66
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene?
The IUPAC name of 2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene (CID 15131436) is 2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene.
What is the SMILES notation for 2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene?
The canonical SMILES for 2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene is CCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(CCC)cc4)c(F)c3)cc2)CC1.
What is the InChIKey of 2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene?
The InChIKey is KXTRPBKEKFJAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39F/c1-3-5-6-8-25-9-13-26(14-10-25)27-17-19-28(20-18-27)30-21-22-31(32(33)23-30)29-15-11-24(7-4-2)12-16-29/h11-12,15-23,25-26H,3-10,13-14H2,1-2H3.
What are the key properties of 2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene?
2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene has a molecular weight of 442.66 g/mol, XLogP of 9.97, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene is sourced from PubChem (CID 15131436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).