1-(4-pentylcyclohexyl)-4-[4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexyl]benzene

C32H46F4 — CID 123873096

IUPAC1-(4-pentylcyclohexyl)-4-[4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexyl]benzene
SMILESCCCCCC1CCC(c2ccc(C3CCC(C4CCC(C(F)=CC(F)(F)F)CC4)CC3)cc2)CC1
InChIInChI=1S/C32H46F4/c1-2-3-4-5-23-6-8-24(9-7-23)25-10-12-26(13-11-25)27-14-16-28(17-15-27)29-18-20-30(21-19-29)31(33)22-32(34,35)36/h10-13,22-24,27-30H,2-9,14-21H2,1H3
InChIKeyJKPQVEHMGBDJCJ-UHFFFAOYSA-N
MW506.71 g/mol
LogP11.04
Rot. Bonds8

About 1-(4-pentylcyclohexyl)-4-[4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexyl]benzene

1-(4-pentylcyclohexyl)-4-[4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexyl]benzene (PubChem CID 123873096) has the molecular formula C32H46F4 and a molecular weight of 506.71 g/mol. Its IUPAC name is 1-(4-pentylcyclohexyl)-4-[4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-(4-pentylcyclohexyl)-4-[4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexyl]benzene
PubChem CID123873096
Molecular FormulaC32H46F4
Molecular Weight506.71 g/mol
Exact Mass506.35
IUPAC Name1-(4-pentylcyclohexyl)-4-[4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexyl]benzene
SMILESCCCCCC1CCC(c2ccc(C3CCC(C4CCC(C(F)=CC(F)(F)F)CC4)CC3)cc2)CC1
InChIInChI=1S/C32H46F4/c1-2-3-4-5-23-6-8-24(9-7-23)25-10-12-26(13-11-25)27-14-16-28(17-15-27)29-18-20-30(21-19-29)31(33)22-32(34,35)36/h10-13,22-24,27-30H,2-9,14-21H2,1H3
InChIKeyJKPQVEHMGBDJCJ-UHFFFAOYSA-N
XLogP11.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.71
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(4-pentylcyclohexyl)-4-[4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexyl]benzene with MolForge

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Related Compounds

5-(4-pentylcyclohexyl)-2-[4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]phenyl]oxane
CID 123862596
1-(4-pentylcyclohexyl)-4-[2-[4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]phenyl]ethynyl]benzene
CID 123660375
2-[4-[3-fluoro-4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]phenyl]cyclohexyl]-5-pentyl-1,3-dioxane
CID 123698189
1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 14985198
4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol
CID 139983091
pentafluoro-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane
CID 54316605
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(1,1,2,2-tetrafluoropentyl)benzene
CID 23188474
1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;bis(1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene)
CID 161029870
4-[4-(4-hexylcyclohexyl)cyclohexyl]aniline
CID 70180506
1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)benzene
CID 19842787
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
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Frequently Asked Questions

What is the IUPAC name of 1-(4-pentylcyclohexyl)-4-[4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexyl]benzene?
The IUPAC name of 1-(4-pentylcyclohexyl)-4-[4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexyl]benzene (CID 123873096) is 1-(4-pentylcyclohexyl)-4-[4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexyl]benzene.
What is the SMILES notation for 1-(4-pentylcyclohexyl)-4-[4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexyl]benzene?
The canonical SMILES for 1-(4-pentylcyclohexyl)-4-[4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexyl]benzene is CCCCCC1CCC(c2ccc(C3CCC(C4CCC(C(F)=CC(F)(F)F)CC4)CC3)cc2)CC1.
What is the InChIKey of 1-(4-pentylcyclohexyl)-4-[4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexyl]benzene?
The InChIKey is JKPQVEHMGBDJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46F4/c1-2-3-4-5-23-6-8-24(9-7-23)25-10-12-26(13-11-25)27-14-16-28(17-15-27)29-18-20-30(21-19-29)31(33)22-32(34,35)36/h10-13,22-24,27-30H,2-9,14-21H2,1H3.
What are the key properties of 1-(4-pentylcyclohexyl)-4-[4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexyl]benzene?
1-(4-pentylcyclohexyl)-4-[4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexyl]benzene has a molecular weight of 506.71 g/mol, XLogP of 11.04, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pentylcyclohexyl)-4-[4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexyl]benzene is sourced from PubChem (CID 123873096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).