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

C32H45F — CID 14985148

IUPAC2-fluoro-1-[4-(4-pentylcyclohexyl)phenyl]-4-(4-propylcyclohexyl)benzene
SMILESCCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3F)cc2)CC1
InChIInChI=1S/C32H45F/c1-3-5-6-8-25-11-13-26(14-12-25)27-17-19-29(20-18-27)31-22-21-30(23-32(31)33)28-15-9-24(7-4-2)10-16-28/h17-26,28H,3-16H2,1-2H3
InChIKeyZNSSVBKDGHSLQE-UHFFFAOYSA-N
MW448.71 g/mol
LogP10.42
Rot. Bonds9

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

2-fluoro-1-[4-(4-pentylcyclohexyl)phenyl]-4-(4-propylcyclohexyl)benzene (PubChem CID 14985148) has the molecular formula C32H45F and a molecular weight of 448.71 g/mol. Its IUPAC name is 2-fluoro-1-[4-(4-pentylcyclohexyl)phenyl]-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-[4-(4-pentylcyclohexyl)phenyl]-4-(4-propylcyclohexyl)benzene
PubChem CID14985148
Molecular FormulaC32H45F
Molecular Weight448.71 g/mol
Exact Mass448.35
IUPAC Name2-fluoro-1-[4-(4-pentylcyclohexyl)phenyl]-4-(4-propylcyclohexyl)benzene
SMILESCCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3F)cc2)CC1
InChIInChI=1S/C32H45F/c1-3-5-6-8-25-11-13-26(14-12-25)27-17-19-29(20-18-27)31-22-21-30(23-32(31)33)28-15-9-24(7-4-2)10-16-28/h17-26,28H,3-16H2,1-2H3
InChIKeyZNSSVBKDGHSLQE-UHFFFAOYSA-N
XLogP10.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.71
LogP ≤ 510.42
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-1-[4-(4-pentylcyclohexyl)phenyl]-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 2-fluoro-1-[4-(4-pentylcyclohexyl)phenyl]-4-(4-propylcyclohexyl)benzene (CID 14985148) is 2-fluoro-1-[4-(4-pentylcyclohexyl)phenyl]-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 2-fluoro-1-[4-(4-pentylcyclohexyl)phenyl]-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 2-fluoro-1-[4-(4-pentylcyclohexyl)phenyl]-4-(4-propylcyclohexyl)benzene is CCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3F)cc2)CC1.
What is the InChIKey of 2-fluoro-1-[4-(4-pentylcyclohexyl)phenyl]-4-(4-propylcyclohexyl)benzene?
The InChIKey is ZNSSVBKDGHSLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45F/c1-3-5-6-8-25-11-13-26(14-12-25)27-17-19-29(20-18-27)31-22-21-30(23-32(31)33)28-15-9-24(7-4-2)10-16-28/h17-26,28H,3-16H2,1-2H3.
What are the key properties of 2-fluoro-1-[4-(4-pentylcyclohexyl)phenyl]-4-(4-propylcyclohexyl)benzene?
2-fluoro-1-[4-(4-pentylcyclohexyl)phenyl]-4-(4-propylcyclohexyl)benzene has a molecular weight of 448.71 g/mol, XLogP of 10.42, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[4-(4-pentylcyclohexyl)phenyl]-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 14985148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).