1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene

C24H25F5 — CID 59247002

IUPAC1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
SMILESCCCC1CCC(c2ccc(-c3cc(F)c(/C=C/C(F)(F)F)c(F)c3)cc2)CC1
InChIInChI=1S/C24H25F5/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-14-22(25)21(23(26)15-20)12-13-24(27,28)29/h8-17H,2-7H2,1H3/b13-12+
InChIKeyLTGWDMGNIBXRDG-OUKQBFOZSA-N
MW408.45 g/mol
LogP8.28
Rot. Bonds5

About 1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene

1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene (PubChem CID 59247002) has the molecular formula C24H25F5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
PubChem CID59247002
Molecular FormulaC24H25F5
Molecular Weight408.45 g/mol
Exact Mass408.19
IUPAC Name1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
SMILESCCCC1CCC(c2ccc(-c3cc(F)c(/C=C/C(F)(F)F)c(F)c3)cc2)CC1
InChIInChI=1S/C24H25F5/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-14-22(25)21(23(26)15-20)12-13-24(27,28)29/h8-17H,2-7H2,1H3/b13-12+
InChIKeyLTGWDMGNIBXRDG-OUKQBFOZSA-N
XLogP8.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.45
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 59247373
1,3-difluoro-5-[4-(3-propylcyclopentyl)phenyl]-2-(trifluoromethyl)benzene
CID 58555558
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
1,3-difluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 147843126
2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]-1-[(E)-4,4,4-trifluorobut-2-enoxy]benzene
CID 139983621
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]benzene;ethane
CID 144714438
1,3-difluoro-5-[4-(4-hexylcyclohexyl)cyclohexyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 59247357
(2R,4aR,8aR)-2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809342
2-(2,2-difluoroethenoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]benzene
CID 22443443
2-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene
CID 162555866
1,3-difluoro-5-[(E)-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 88998938
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene?
The IUPAC name of 1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene (CID 59247002) is 1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene.
What is the SMILES notation for 1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene?
The canonical SMILES for 1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene is CCCC1CCC(c2ccc(-c3cc(F)c(/C=C/C(F)(F)F)c(F)c3)cc2)CC1.
What is the InChIKey of 1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene?
The InChIKey is LTGWDMGNIBXRDG-OUKQBFOZSA-N. The full InChI is InChI=1S/C24H25F5/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-14-22(25)21(23(26)15-20)12-13-24(27,28)29/h8-17H,2-7H2,1H3/b13-12+.
What are the key properties of 1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene?
1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene has a molecular weight of 408.45 g/mol, XLogP of 8.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene is sourced from PubChem (CID 59247002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).