3-fluoro-1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene

C25H28F4 — CID 58953489

IUPAC3-fluoro-1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene
SMILESC/C=C/c1ccc(-c2ccc(C3CCC(CCC)CC3)cc2)c(F)c1C(F)(F)F
InChIInChI=1S/C25H28F4/c1-3-5-17-7-9-18(10-8-17)19-11-13-20(14-12-19)22-16-15-21(6-4-2)23(24(22)26)25(27,28)29/h4,6,11-18H,3,5,7-10H2,1-2H3/b6-4+
InChIKeyPOQAEOXAYZHYIE-GQCTYLIASA-N
MW404.49 g/mol
LogP8.62
Rot. Bonds5

About 3-fluoro-1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene

3-fluoro-1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene (PubChem CID 58953489) has the molecular formula C25H28F4 and a molecular weight of 404.49 g/mol. Its IUPAC name is 3-fluoro-1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name3-fluoro-1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene
PubChem CID58953489
Molecular FormulaC25H28F4
Molecular Weight404.49 g/mol
Exact Mass404.21
IUPAC Name3-fluoro-1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene
SMILESC/C=C/c1ccc(-c2ccc(C3CCC(CCC)CC3)cc2)c(F)c1C(F)(F)F
InChIInChI=1S/C25H28F4/c1-3-5-17-7-9-18(10-8-17)19-11-13-20(14-12-19)22-16-15-21(6-4-2)23(24(22)26)25(27,28)29/h4,6,11-18H,3,5,7-10H2,1-2H3/b6-4+
InChIKeyPOQAEOXAYZHYIE-GQCTYLIASA-N
XLogP8.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-difluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 147843126
7-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene
CID 139862781
1-ethoxy-2,3-difluoro-4-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]benzene
CID 118965777
1,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene
CID 155471466
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-methylbenzene
CID 67729692
2,3-difluoro-1-pentoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 134358507
2-fluoro-4-pent-3-enyl-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 67701116
1,3-difluoro-5-[4-(3-propylcyclopentyl)phenyl]-2-(trifluoromethyl)benzene
CID 58555558
1-[4-(4,4-difluorocyclohexyl)phenyl]-2,3-difluoro-4-prop-1-enylbenzene
CID 54024865
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728
1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 59247481

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene?
The IUPAC name of 3-fluoro-1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene (CID 58953489) is 3-fluoro-1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 3-fluoro-1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene?
The canonical SMILES for 3-fluoro-1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene is C/C=C/c1ccc(-c2ccc(C3CCC(CCC)CC3)cc2)c(F)c1C(F)(F)F.
What is the InChIKey of 3-fluoro-1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene?
The InChIKey is POQAEOXAYZHYIE-GQCTYLIASA-N. The full InChI is InChI=1S/C25H28F4/c1-3-5-17-7-9-18(10-8-17)19-11-13-20(14-12-19)22-16-15-21(6-4-2)23(24(22)26)25(27,28)29/h4,6,11-18H,3,5,7-10H2,1-2H3/b6-4+.
What are the key properties of 3-fluoro-1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene?
3-fluoro-1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene has a molecular weight of 404.49 g/mol, XLogP of 8.62, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 58953489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).