1-chloro-4-(1,2,2-trifluoroethenyl)benzene

C8H4ClF3 — CID 11310058

IUPAC1-chloro-4-(1,2,2-trifluoroethenyl)benzene
SMILESFC(F)=C(F)c1ccc(Cl)cc1
InChIInChI=1S/C8H4ClF3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4H
InChIKeyRKJZTYSOGLWJGQ-UHFFFAOYSA-N
MW192.57 g/mol
LogP3.87
Rot. Bonds1

About 1-chloro-4-(1,2,2-trifluoroethenyl)benzene

1-chloro-4-(1,2,2-trifluoroethenyl)benzene (PubChem CID 11310058) has the molecular formula C8H4ClF3 and a molecular weight of 192.57 g/mol. Its IUPAC name is 1-chloro-4-(1,2,2-trifluoroethenyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(1,2,2-trifluoroethenyl)benzene
PubChem CID11310058
Molecular FormulaC8H4ClF3
Molecular Weight192.57 g/mol
Exact Mass192.00
IUPAC Name1-chloro-4-(1,2,2-trifluoroethenyl)benzene
SMILESFC(F)=C(F)c1ccc(Cl)cc1
InChIInChI=1S/C8H4ClF3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4H
InChIKeyRKJZTYSOGLWJGQ-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.57
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-Chlorotoluene
CID 7810
1-Chloro-4-(trifluoromethyl)benzene
CID 7394
2-Chlorotoluene
CID 7238
3-Chlorotoluene
CID 7931
2-Chlorostyrene
CID 14906
1-Chloro-4-(chloromethyl)benzene
CID 7723
3,4-Dichlorobenzotrifluoride
CID 9481
4-Chlorostyrene
CID 14085
1-Chloro-2-(trifluoromethyl)benzene
CID 6921
2,4-Dichlorobenzotrifluoride
CID 9443
4-Chlorobenzotrichloride
CID 21277
3-Chlorobenzotrifluoride
CID 7374

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1,2,2-trifluoroethenyl)benzene?
The IUPAC name of 1-chloro-4-(1,2,2-trifluoroethenyl)benzene (CID 11310058) is 1-chloro-4-(1,2,2-trifluoroethenyl)benzene.
What is the SMILES notation for 1-chloro-4-(1,2,2-trifluoroethenyl)benzene?
The canonical SMILES for 1-chloro-4-(1,2,2-trifluoroethenyl)benzene is FC(F)=C(F)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(1,2,2-trifluoroethenyl)benzene?
The InChIKey is RKJZTYSOGLWJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4H.
What are the key properties of 1-chloro-4-(1,2,2-trifluoroethenyl)benzene?
1-chloro-4-(1,2,2-trifluoroethenyl)benzene has a molecular weight of 192.57 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1,2,2-trifluoroethenyl)benzene is sourced from PubChem (CID 11310058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).