1-[1-(cyclohexen-1-yl)-4-(1-decylcyclohexyl)butan-2-yl]-4-fluorobenzene

C32H51F — CID 57228233

IUPAC1-[1-(cyclohexen-1-yl)-4-(1-decylcyclohexyl)butan-2-yl]-4-fluorobenzene
SMILESCCCCCCCCCCC1(CCC(CC2=CCCCC2)c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C32H51F/c1-2-3-4-5-6-7-8-13-23-32(24-14-10-15-25-32)26-22-30(27-28-16-11-9-12-17-28)29-18-20-31(33)21-19-29/h16,18-21,30H,2-15,17,22-27H2,1H3
InChIKeyRKUHHSLTNOHSQE-UHFFFAOYSA-N
MW454.76 g/mol
LogP11.06
Rot. Bonds15

About 1-[1-(cyclohexen-1-yl)-4-(1-decylcyclohexyl)butan-2-yl]-4-fluorobenzene

1-[1-(cyclohexen-1-yl)-4-(1-decylcyclohexyl)butan-2-yl]-4-fluorobenzene (PubChem CID 57228233) has the molecular formula C32H51F and a molecular weight of 454.76 g/mol. Its IUPAC name is 1-[1-(cyclohexen-1-yl)-4-(1-decylcyclohexyl)butan-2-yl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[1-(cyclohexen-1-yl)-4-(1-decylcyclohexyl)butan-2-yl]-4-fluorobenzene
PubChem CID57228233
Molecular FormulaC32H51F
Molecular Weight454.76 g/mol
Exact Mass454.40
IUPAC Name1-[1-(cyclohexen-1-yl)-4-(1-decylcyclohexyl)butan-2-yl]-4-fluorobenzene
SMILESCCCCCCCCCCC1(CCC(CC2=CCCCC2)c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C32H51F/c1-2-3-4-5-6-7-8-13-23-32(24-14-10-15-25-32)26-22-30(27-28-16-11-9-12-17-28)29-18-20-31(33)21-19-29/h16,18-21,30H,2-15,17,22-27H2,1H3
InChIKeyRKUHHSLTNOHSQE-UHFFFAOYSA-N
XLogP11.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.76
LogP ≤ 511.06
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-[1-(cyclohexen-1-yl)-4-(1-hexylcyclohexyl)butan-2-yl]-4-fluorobenzene
CID 57135262
1-[1-(cyclohexen-1-yl)-4-(1-hexylcyclohexyl)butan-2-yl]-4-ethylbenzene
CID 57248375
1-[4-(1-butylcyclohexyl)-1-(cyclohexen-1-yl)butan-2-yl]-4-methylbenzene
CID 57155564
1-butyl-4-[4-(1-butylcyclohexyl)-1-(cyclohexen-1-yl)butan-2-yl]benzene
CID 173352838
1-[1-(cyclohexen-1-yl)-4-(1-propylcyclohexyl)butan-2-yl]-4-pentylbenzene
CID 57157642
1-(cyclohexen-1-yl)dodecan-2-amine
CID 116661293
1-(2-phenylbutyl)cycloheptene
CID 143290808
1,1-di(nonyl)cyclopentane
CID 154318487
1,1-dipentylcyclononane
CID 169026027
1,1-dioctylcyclopentane
CID 54295272
1,1-dihexadecylcyclopentane
CID 141255150
1-hexylcycloheptene
CID 15587826

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexen-1-yl)-4-(1-decylcyclohexyl)butan-2-yl]-4-fluorobenzene?
The IUPAC name of 1-[1-(cyclohexen-1-yl)-4-(1-decylcyclohexyl)butan-2-yl]-4-fluorobenzene (CID 57228233) is 1-[1-(cyclohexen-1-yl)-4-(1-decylcyclohexyl)butan-2-yl]-4-fluorobenzene.
What is the SMILES notation for 1-[1-(cyclohexen-1-yl)-4-(1-decylcyclohexyl)butan-2-yl]-4-fluorobenzene?
The canonical SMILES for 1-[1-(cyclohexen-1-yl)-4-(1-decylcyclohexyl)butan-2-yl]-4-fluorobenzene is CCCCCCCCCCC1(CCC(CC2=CCCCC2)c2ccc(F)cc2)CCCCC1.
What is the InChIKey of 1-[1-(cyclohexen-1-yl)-4-(1-decylcyclohexyl)butan-2-yl]-4-fluorobenzene?
The InChIKey is RKUHHSLTNOHSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H51F/c1-2-3-4-5-6-7-8-13-23-32(24-14-10-15-25-32)26-22-30(27-28-16-11-9-12-17-28)29-18-20-31(33)21-19-29/h16,18-21,30H,2-15,17,22-27H2,1H3.
What are the key properties of 1-[1-(cyclohexen-1-yl)-4-(1-decylcyclohexyl)butan-2-yl]-4-fluorobenzene?
1-[1-(cyclohexen-1-yl)-4-(1-decylcyclohexyl)butan-2-yl]-4-fluorobenzene has a molecular weight of 454.76 g/mol, XLogP of 11.06, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexen-1-yl)-4-(1-decylcyclohexyl)butan-2-yl]-4-fluorobenzene is sourced from PubChem (CID 57228233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).