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

C32H51F — CID 118136052

IUPAC2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCCCC1CCC(c2ccc(C3CCC(C4CCC(CCC)CC4)CC3)cc2F)CC1
InChIInChI=1S/C32H51F/c1-3-5-6-8-25-11-15-29(16-12-25)31-22-21-30(23-32(31)33)28-19-17-27(18-20-28)26-13-9-24(7-4-2)10-14-26/h21-29H,3-20H2,1-2H3
InChIKeyAEIVQKYGBPEZFK-UHFFFAOYSA-N
MW454.76 g/mol
LogP10.56
Rot. Bonds9

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

2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (PubChem CID 118136052) has the molecular formula C32H51F and a molecular weight of 454.76 g/mol. Its IUPAC name is 2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
PubChem CID118136052
Molecular FormulaC32H51F
Molecular Weight454.76 g/mol
Exact Mass454.40
IUPAC Name2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCCCC1CCC(c2ccc(C3CCC(C4CCC(CCC)CC4)CC3)cc2F)CC1
InChIInChI=1S/C32H51F/c1-3-5-6-8-25-11-15-29(16-12-25)31-22-21-30(23-32(31)33)28-19-17-27(18-20-28)26-13-9-24(7-4-2)10-14-26/h21-29H,3-20H2,1-2H3
InChIKeyAEIVQKYGBPEZFK-UHFFFAOYSA-N
XLogP10.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.76
LogP ≤ 510.56
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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Related Compounds

4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]-N-methylcyclohexan-1-amine
CID 145235108
2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 122642799
2-fluoro-4-(4-methoxycyclohexyl)-1-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 139457155
2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]benzene
CID 66824344
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
2-fluoro-N-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]aniline
CID 145234992
1-[[4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]amino]prop-2-en-1-ol
CID 135218652
N-[4-[4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]prop-2-enamide
CID 134245752
N-[4-[3-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]prop-2-enamide
CID 135214922
2-fluoro-1-[4-(4-nonylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 139779219
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 14693031

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (CID 118136052) is 2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is CCCCCC1CCC(c2ccc(C3CCC(C4CCC(CCC)CC4)CC3)cc2F)CC1.
What is the InChIKey of 2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The InChIKey is AEIVQKYGBPEZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H51F/c1-3-5-6-8-25-11-15-29(16-12-25)31-22-21-30(23-32(31)33)28-19-17-27(18-20-28)26-13-9-24(7-4-2)10-14-26/h21-29H,3-20H2,1-2H3.
What are the key properties of 2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene has a molecular weight of 454.76 g/mol, XLogP of 10.56, 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-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 118136052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).