1-chloro-3-(2,2,2-trifluoroethyl)benzene

C8H6ClF3 — CID 22134639

IUPAC1-chloro-3-(2,2,2-trifluoroethyl)benzene
SMILESFC(F)(F)Cc1cccc(Cl)c1
InChIInChI=1S/C8H6ClF3/c9-7-3-1-2-6(4-7)5-8(10,11)12/h1-4H,5H2
InChIKeyNUCKCUUXOKSESF-UHFFFAOYSA-N
MW194.58 g/mol
LogP3.44
Rot. Bonds1

About 1-chloro-3-(2,2,2-trifluoroethyl)benzene

1-chloro-3-(2,2,2-trifluoroethyl)benzene (PubChem CID 22134639) has the molecular formula C8H6ClF3 and a molecular weight of 194.58 g/mol. Its IUPAC name is 1-chloro-3-(2,2,2-trifluoroethyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(2,2,2-trifluoroethyl)benzene
PubChem CID22134639
Molecular FormulaC8H6ClF3
Molecular Weight194.58 g/mol
Exact Mass194.01
IUPAC Name1-chloro-3-(2,2,2-trifluoroethyl)benzene
SMILESFC(F)(F)Cc1cccc(Cl)c1
InChIInChI=1S/C8H6ClF3/c9-7-3-1-2-6(4-7)5-8(10,11)12/h1-4H,5H2
InChIKeyNUCKCUUXOKSESF-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.58
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2,2,2-trifluoroethyl)benzene?
The IUPAC name of 1-chloro-3-(2,2,2-trifluoroethyl)benzene (CID 22134639) is 1-chloro-3-(2,2,2-trifluoroethyl)benzene.
What is the SMILES notation for 1-chloro-3-(2,2,2-trifluoroethyl)benzene?
The canonical SMILES for 1-chloro-3-(2,2,2-trifluoroethyl)benzene is FC(F)(F)Cc1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-(2,2,2-trifluoroethyl)benzene?
The InChIKey is NUCKCUUXOKSESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3/c9-7-3-1-2-6(4-7)5-8(10,11)12/h1-4H,5H2.
What are the key properties of 1-chloro-3-(2,2,2-trifluoroethyl)benzene?
1-chloro-3-(2,2,2-trifluoroethyl)benzene has a molecular weight of 194.58 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2,2,2-trifluoroethyl)benzene is sourced from PubChem (CID 22134639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).