2-fluoro-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]cyclohexyl]-1-(trifluoromethyl)benzene

C24H31F5 — CID 19695440

IUPAC2-fluoro-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]cyclohexyl]-1-(trifluoromethyl)benzene
SMILESFCCC/C=C/C1CCC(C2CCC(c3ccc(C(F)(F)F)c(F)c3)CC2)CC1
InChIInChI=1S/C24H31F5/c25-15-3-1-2-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-14-22(23(26)16-21)24(27,28)29/h2,4,13-14,16-20H,1,3,5-12,15H2/b4-2+
InChIKeyGPNKJVZUUWNOIA-DUXPYHPUSA-N
MW414.50 g/mol
LogP8.23
Rot. Bonds6

About 2-fluoro-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]cyclohexyl]-1-(trifluoromethyl)benzene

2-fluoro-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]cyclohexyl]-1-(trifluoromethyl)benzene (PubChem CID 19695440) has the molecular formula C24H31F5 and a molecular weight of 414.50 g/mol. Its IUPAC name is 2-fluoro-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]cyclohexyl]-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-fluoro-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]cyclohexyl]-1-(trifluoromethyl)benzene
PubChem CID19695440
Molecular FormulaC24H31F5
Molecular Weight414.50 g/mol
Exact Mass414.23
IUPAC Name2-fluoro-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]cyclohexyl]-1-(trifluoromethyl)benzene
SMILESFCCC/C=C/C1CCC(C2CCC(c3ccc(C(F)(F)F)c(F)c3)CC2)CC1
InChIInChI=1S/C24H31F5/c25-15-3-1-2-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-14-22(23(26)16-21)24(27,28)29/h2,4,13-14,16-20H,1,3,5-12,15H2/b4-2+
InChIKeyGPNKJVZUUWNOIA-DUXPYHPUSA-N
XLogP8.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 58.23
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'}

Analyze 2-fluoro-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]cyclohexyl]-1-(trifluoromethyl)benzene with MolForge

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Related Compounds

4-[4-[(E)-4-(4-butylcyclohexyl)but-3-enyl]cyclohexyl]-2-fluoro-1-(trifluoromethyl)benzene
CID 139629362
4-[4-(4,4-difluorobut-1-enyl)cyclohexyl]-2-fluoro-1-(trifluoromethyl)benzene
CID 54065273
2-fluoro-4-[4-[(E)-4-(4-pentylcyclohexyl)but-1-enyl]cyclohexyl]-1-(trifluoromethyl)benzene
CID 139629397
2-fluoro-4-[4-[(1E,3E)-penta-1,3-dienyl]cyclohexyl]-1-(trifluoromethyl)benzene
CID 22915757
1,2-difluoro-4-[4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 19779944
1,2,3-trifluoro-5-[4-[2-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 19695249
1,2-difluoro-4-[4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 19695333
1,3-difluoro-5-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]-2-(trifluoromethyl)benzene
CID 67589506
ethyl-[4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]cyclohexyl]phenyl]silane
CID 154332836
1-chloro-4-[4-[4-(5-fluoropent-1-enyl)cyclohexyl]phenyl]benzene
CID 54385187
2-fluoro-4-[4-[4-(4-methylpentyl)cyclohexyl]cyclohexyl]-1-(trifluoromethyl)benzene
CID 19702487
2-fluoro-4-[4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexyl]-1-(trifluoromethoxy)benzene
CID 19695594

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]cyclohexyl]-1-(trifluoromethyl)benzene?
The IUPAC name of 2-fluoro-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]cyclohexyl]-1-(trifluoromethyl)benzene (CID 19695440) is 2-fluoro-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]cyclohexyl]-1-(trifluoromethyl)benzene.
What is the SMILES notation for 2-fluoro-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]cyclohexyl]-1-(trifluoromethyl)benzene?
The canonical SMILES for 2-fluoro-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]cyclohexyl]-1-(trifluoromethyl)benzene is FCCC/C=C/C1CCC(C2CCC(c3ccc(C(F)(F)F)c(F)c3)CC2)CC1.
What is the InChIKey of 2-fluoro-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]cyclohexyl]-1-(trifluoromethyl)benzene?
The InChIKey is GPNKJVZUUWNOIA-DUXPYHPUSA-N. The full InChI is InChI=1S/C24H31F5/c25-15-3-1-2-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-14-22(23(26)16-21)24(27,28)29/h2,4,13-14,16-20H,1,3,5-12,15H2/b4-2+.
What are the key properties of 2-fluoro-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]cyclohexyl]-1-(trifluoromethyl)benzene?
2-fluoro-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]cyclohexyl]-1-(trifluoromethyl)benzene has a molecular weight of 414.50 g/mol, XLogP of 8.23, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]cyclohexyl]-1-(trifluoromethyl)benzene is sourced from PubChem (CID 19695440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).