1-(5-fluoropentyl)-4-[2-[4-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene

C34H53F — CID 54227543

IUPAC1-(5-fluoropentyl)-4-[2-[4-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene
SMILESCC=CC1CCC(C2CCC(C3CCC(CCc4ccc(CCCCCF)cc4)CC3)CC2)CC1
InChIInChI=1S/C34H53F/c1-2-6-27-14-18-31(19-15-27)33-22-24-34(25-23-33)32-20-16-30(17-21-32)13-12-29-10-8-28(9-11-29)7-4-3-5-26-35/h2,6,8-11,27,30-34H,3-5,7,12-26H2,1H3
InChIKeyQGXTYOCKGOPKSK-UHFFFAOYSA-N
MW480.80 g/mol
LogP10.30
Rot. Bonds11

About 1-(5-fluoropentyl)-4-[2-[4-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene

1-(5-fluoropentyl)-4-[2-[4-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene (PubChem CID 54227543) has the molecular formula C34H53F and a molecular weight of 480.80 g/mol. Its IUPAC name is 1-(5-fluoropentyl)-4-[2-[4-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name1-(5-fluoropentyl)-4-[2-[4-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene
PubChem CID54227543
Molecular FormulaC34H53F
Molecular Weight480.80 g/mol
Exact Mass480.41
IUPAC Name1-(5-fluoropentyl)-4-[2-[4-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene
SMILESCC=CC1CCC(C2CCC(C3CCC(CCc4ccc(CCCCCF)cc4)CC3)CC2)CC1
InChIInChI=1S/C34H53F/c1-2-6-27-14-18-31(19-15-27)33-22-24-34(25-23-33)32-20-16-30(17-21-32)13-12-29-10-8-28(9-11-29)7-4-3-5-26-35/h2,6,8-11,27,30-34H,3-5,7,12-26H2,1H3
InChIKeyQGXTYOCKGOPKSK-UHFFFAOYSA-N
XLogP10.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.80
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluoroethyl)-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 54416262
1-(3-fluoropropyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 70907603
1-fluoro-4-[2-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]benzene
CID 19992676
1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-fluorobenzene
CID 18656555
1-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 169027149
1-methyl-4-[2-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]phenyl]ethynyl]benzene
CID 20588787
1-(5-fluoropentyl)-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 21265136
1-[2-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene
CID 21459477
1-[4-(3-fluoropropyl)cyclohexyl]-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]benzene
CID 67676134
1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-methoxybenzene
CID 18656557
1-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]-4-(4-pentylphenyl)benzene
CID 21265277
1,2,3-trifluoro-5-[2-[4-[4-(5-fluoropent-1-enyl)cyclohexyl]cyclohexyl]ethyl]benzene
CID 54111365

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropentyl)-4-[2-[4-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene?
The IUPAC name of 1-(5-fluoropentyl)-4-[2-[4-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene (CID 54227543) is 1-(5-fluoropentyl)-4-[2-[4-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene.
What is the SMILES notation for 1-(5-fluoropentyl)-4-[2-[4-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene?
The canonical SMILES for 1-(5-fluoropentyl)-4-[2-[4-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene is CC=CC1CCC(C2CCC(C3CCC(CCc4ccc(CCCCCF)cc4)CC3)CC2)CC1.
What is the InChIKey of 1-(5-fluoropentyl)-4-[2-[4-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene?
The InChIKey is QGXTYOCKGOPKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H53F/c1-2-6-27-14-18-31(19-15-27)33-22-24-34(25-23-33)32-20-16-30(17-21-32)13-12-29-10-8-28(9-11-29)7-4-3-5-26-35/h2,6,8-11,27,30-34H,3-5,7,12-26H2,1H3.
What are the key properties of 1-(5-fluoropentyl)-4-[2-[4-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene?
1-(5-fluoropentyl)-4-[2-[4-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene has a molecular weight of 480.80 g/mol, XLogP of 10.30, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropentyl)-4-[2-[4-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene is sourced from PubChem (CID 54227543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).