4-(4-but-3-enylphenyl)-2-fluoro-1-(trifluoromethyl)benzene

C17H14F4 — CID 139764150

IUPAC4-(4-but-3-enylphenyl)-2-fluoro-1-(trifluoromethyl)benzene
SMILESC=CCCc1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C17H14F4/c1-2-3-4-12-5-7-13(8-6-12)14-9-10-15(16(18)11-14)17(19,20)21/h2,5-11H,1,3-4H2
InChIKeyIWTCWTOIHLCZNW-UHFFFAOYSA-N
MW294.29 g/mol
LogP5.63
Rot. Bonds4

About 4-(4-but-3-enylphenyl)-2-fluoro-1-(trifluoromethyl)benzene

4-(4-but-3-enylphenyl)-2-fluoro-1-(trifluoromethyl)benzene (PubChem CID 139764150) has the molecular formula C17H14F4 and a molecular weight of 294.29 g/mol. Its IUPAC name is 4-(4-but-3-enylphenyl)-2-fluoro-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-(4-but-3-enylphenyl)-2-fluoro-1-(trifluoromethyl)benzene
PubChem CID139764150
Molecular FormulaC17H14F4
Molecular Weight294.29 g/mol
Exact Mass294.10
IUPAC Name4-(4-but-3-enylphenyl)-2-fluoro-1-(trifluoromethyl)benzene
SMILESC=CCCc1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C17H14F4/c1-2-3-4-12-5-7-13(8-6-12)14-9-10-15(16(18)11-14)17(19,20)21/h2,5-11H,1,3-4H2
InChIKeyIWTCWTOIHLCZNW-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.29
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-(4-but-3-enylphenyl)-1-fluoro-2-(trifluoromethyl)naphthalene
CID 139855517
1-(4-but-3-enylphenyl)-4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]-2,3-difluorobenzene
CID 118592670
2-but-3-enyl-6-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 68533355
6-but-3-enyl-1-fluoro-2-[3-fluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 87488663
4-[4-[2-(4-but-3-enylphenyl)ethynyl]phenyl]-1,2-difluorobenzene
CID 139799047
1-but-3-enyl-4-(4-fluorophenyl)benzene
CID 59812328
2-fluoro-4-[4-[2-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]ethyl]phenyl]-1-(trifluoromethyl)benzene
CID 19695475
4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 118136047
4-(4-but-3-enylphenyl)-1-(difluoromethoxy)-2-fluorobenzene
CID 139764168
5-[4-(4-but-3-enylphenyl)-2-fluorophenyl]-2-chloro-1,3-difluorobenzene
CID 59207606
2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene
CID 21026890
2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1-(trifluoromethyl)benzene
CID 20654453

Frequently Asked Questions

What is the IUPAC name of 4-(4-but-3-enylphenyl)-2-fluoro-1-(trifluoromethyl)benzene?
The IUPAC name of 4-(4-but-3-enylphenyl)-2-fluoro-1-(trifluoromethyl)benzene (CID 139764150) is 4-(4-but-3-enylphenyl)-2-fluoro-1-(trifluoromethyl)benzene.
What is the SMILES notation for 4-(4-but-3-enylphenyl)-2-fluoro-1-(trifluoromethyl)benzene?
The canonical SMILES for 4-(4-but-3-enylphenyl)-2-fluoro-1-(trifluoromethyl)benzene is C=CCCc1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1.
What is the InChIKey of 4-(4-but-3-enylphenyl)-2-fluoro-1-(trifluoromethyl)benzene?
The InChIKey is IWTCWTOIHLCZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4/c1-2-3-4-12-5-7-13(8-6-12)14-9-10-15(16(18)11-14)17(19,20)21/h2,5-11H,1,3-4H2.
What are the key properties of 4-(4-but-3-enylphenyl)-2-fluoro-1-(trifluoromethyl)benzene?
4-(4-but-3-enylphenyl)-2-fluoro-1-(trifluoromethyl)benzene has a molecular weight of 294.29 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-but-3-enylphenyl)-2-fluoro-1-(trifluoromethyl)benzene is sourced from PubChem (CID 139764150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).