1-chloro-2-[3-ethenyl-5-(trifluoromethyl)phenyl]-4-fluorobenzene

C15H9ClF4 — CID 172653886

IUPAC1-chloro-2-[3-ethenyl-5-(trifluoromethyl)phenyl]-4-fluorobenzene
SMILESC=Cc1cc(-c2cc(F)ccc2Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C15H9ClF4/c1-2-9-5-10(7-11(6-9)15(18,19)20)13-8-12(17)3-4-14(13)16/h2-8H,1H2
InChIKeyJZRDLKYBFGIQMH-UHFFFAOYSA-N
MW300.68 g/mol
LogP5.81
Rot. Bonds2

About 1-chloro-2-[3-ethenyl-5-(trifluoromethyl)phenyl]-4-fluorobenzene

1-chloro-2-[3-ethenyl-5-(trifluoromethyl)phenyl]-4-fluorobenzene (PubChem CID 172653886) has the molecular formula C15H9ClF4 and a molecular weight of 300.68 g/mol. Its IUPAC name is 1-chloro-2-[3-ethenyl-5-(trifluoromethyl)phenyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-chloro-2-[3-ethenyl-5-(trifluoromethyl)phenyl]-4-fluorobenzene
PubChem CID172653886
Molecular FormulaC15H9ClF4
Molecular Weight300.68 g/mol
Exact Mass300.03
IUPAC Name1-chloro-2-[3-ethenyl-5-(trifluoromethyl)phenyl]-4-fluorobenzene
SMILESC=Cc1cc(-c2cc(F)ccc2Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C15H9ClF4/c1-2-9-5-10(7-11(6-9)15(18,19)20)13-8-12(17)3-4-14(13)16/h2-8H,1H2
InChIKeyJZRDLKYBFGIQMH-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.68
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-2-(3-ethenyl-5-methylphenyl)-4-fluorobenzene
CID 172653879
1-chloro-2-(3-ethenyl-4-methylphenyl)-4-fluorobenzene
CID 172654203
4-(2-chloro-5-fluorophenyl)benzaldehyde
CID 105395676
2-(2-chloro-5-fluorophenyl)-4-(trifluoromethyl)benzonitrile
CID 172915525
1-chloro-2-[2-ethynyl-5-(trifluoromethyl)phenyl]-4-fluorobenzene
CID 172653758
4-chloro-3-(2-chloro-5-fluorophenyl)benzaldehyde
CID 172653843
1,4-dichloro-2-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene
CID 134626452
4-(2-chloro-5-fluorophenyl)aniline
CID 105395647
3-(2-chloro-5-fluorophenyl)-4-methylbenzaldehyde
CID 105408282
1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene
CID 118992050
4-(2-chloro-5-fluorophenyl)benzoic acid
CID 53426192
1-(5-fluoro-2-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)benzene
CID 170246253

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[3-ethenyl-5-(trifluoromethyl)phenyl]-4-fluorobenzene?
The IUPAC name of 1-chloro-2-[3-ethenyl-5-(trifluoromethyl)phenyl]-4-fluorobenzene (CID 172653886) is 1-chloro-2-[3-ethenyl-5-(trifluoromethyl)phenyl]-4-fluorobenzene.
What is the SMILES notation for 1-chloro-2-[3-ethenyl-5-(trifluoromethyl)phenyl]-4-fluorobenzene?
The canonical SMILES for 1-chloro-2-[3-ethenyl-5-(trifluoromethyl)phenyl]-4-fluorobenzene is C=Cc1cc(-c2cc(F)ccc2Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 1-chloro-2-[3-ethenyl-5-(trifluoromethyl)phenyl]-4-fluorobenzene?
The InChIKey is JZRDLKYBFGIQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF4/c1-2-9-5-10(7-11(6-9)15(18,19)20)13-8-12(17)3-4-14(13)16/h2-8H,1H2.
What are the key properties of 1-chloro-2-[3-ethenyl-5-(trifluoromethyl)phenyl]-4-fluorobenzene?
1-chloro-2-[3-ethenyl-5-(trifluoromethyl)phenyl]-4-fluorobenzene has a molecular weight of 300.68 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[3-ethenyl-5-(trifluoromethyl)phenyl]-4-fluorobenzene is sourced from PubChem (CID 172653886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).