1-chloro-2-(trifluoromethyl)benzene

C7H4ClF3 — CID 6921

IUPAC1-chloro-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccccc1Cl
InChIInChI=1S/C7H4ClF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
InChIKeyDGRVQOKCSKDWIH-UHFFFAOYSA-N
MW180.56 g/mol
LogP3.36
Rot. Bonds

About 1-chloro-2-(trifluoromethyl)benzene

1-chloro-2-(trifluoromethyl)benzene (PubChem CID 6921) has the molecular formula C7H4ClF3 and a molecular weight of 180.56 g/mol. Its IUPAC name is 1-chloro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(trifluoromethyl)benzene
PubChem CID6921
Molecular FormulaC7H4ClF3
Molecular Weight180.56 g/mol
Exact Mass180.00
IUPAC Name1-chloro-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccccc1Cl
InChIInChI=1S/C7H4ClF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
InChIKeyDGRVQOKCSKDWIH-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.56
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-2-(trifluoromethyl)benzene
CID 161495124
sodium;1-chloro-2-(trifluoromethyl)benzene;hydride
CID 175454034
1-chloro-2-(trifluoromethyl)benzene thiocyanate
CID 86593094
1-chloro-2-[(2-chlorophenyl)-difluoromethyl]benzene
CID 22023801
1-[bromo(difluoro)methyl]-2-chlorobenzene
CID 58133508
1-chloro-2-(trichloromethyl)benzene
CID 16494
1-chloro-5-(trifluoromethyl)naphthalene
CID 20538520
1-chloro-2-[1-(2-chlorophenyl)-1,2,2,3,3,3-hexafluoropropyl]benzene
CID 22336549
1-chloro-2-(trichloromethyl)benzene;hydrofluoride
CID 21414937
[(2-chlorophenyl)-difluoromethyl]phosphonic acid
CID 91535582
2-(2-chlorophenyl)-2,2-difluoroacetyl fluoride
CID 118255532
3-(2-chlorophenyl)-3-fluoro-2-methylbutan-2-amine
CID 105469306

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-2-(trifluoromethyl)benzene (CID 6921) is 1-chloro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-2-(trifluoromethyl)benzene is FC(F)(F)c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-(trifluoromethyl)benzene?
The InChIKey is DGRVQOKCSKDWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H.
What are the key properties of 1-chloro-2-(trifluoromethyl)benzene?
1-chloro-2-(trifluoromethyl)benzene has a molecular weight of 180.56 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 6921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).