2-chloro-1-methyl-3-(trifluoromethoxy)benzene

C8H6ClF3O — CID 118269051

IUPAC2-chloro-1-methyl-3-(trifluoromethoxy)benzene
SMILESCc1cccc(OC(F)(F)F)c1Cl
InChIInChI=1S/C8H6ClF3O/c1-5-3-2-4-6(7(5)9)13-8(10,11)12/h2-4H,1H3
InChIKeyWOWDRSJKAFESMT-UHFFFAOYSA-N
MW210.58 g/mol
LogP3.55
Rot. Bonds1

About 2-chloro-1-methyl-3-(trifluoromethoxy)benzene

2-chloro-1-methyl-3-(trifluoromethoxy)benzene (PubChem CID 118269051) has the molecular formula C8H6ClF3O and a molecular weight of 210.58 g/mol. Its IUPAC name is 2-chloro-1-methyl-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-chloro-1-methyl-3-(trifluoromethoxy)benzene
PubChem CID118269051
Molecular FormulaC8H6ClF3O
Molecular Weight210.58 g/mol
Exact Mass210.01
IUPAC Name2-chloro-1-methyl-3-(trifluoromethoxy)benzene
SMILESCc1cccc(OC(F)(F)F)c1Cl
InChIInChI=1S/C8H6ClF3O/c1-5-3-2-4-6(7(5)9)13-8(10,11)12/h2-4H,1H3
InChIKeyWOWDRSJKAFESMT-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.58
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-chloro-1-methyl-3-(trifluoromethoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Chloro-2-methoxy-4-methylbenzene
CID 99352
1-Chloro-4-methoxy-2-methylbenzene
CID 458156
3-Chloro-4-methoxytoluene
CID 140873
1-Chloro-2-(trifluoromethoxy)benzene
CID 2782782
4-Chloro-3-(trifluoromethyl)anisole
CID 2773853
2-Chloro-3-(trifluoromethyl)phenol
CID 2736601
3-Chloro-2-fluoro-5-(trifluoromethyl)anisole
CID 2773741
1-Chloro-2-methoxy-4-(trifluoromethyl)benzene
CID 2773852
2-Chloro-6-fluoro-3-methoxybenzonitrile
CID 17750817
1-Chloro-4-(difluoromethoxy)-2-ethylbenzene
CID 2119406
1-Chloro-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 13648549
2-Chloro-4-fluoro-3-methoxy-1-methylbenzene
CID 2773658

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methyl-3-(trifluoromethoxy)benzene?
The IUPAC name of 2-chloro-1-methyl-3-(trifluoromethoxy)benzene (CID 118269051) is 2-chloro-1-methyl-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-chloro-1-methyl-3-(trifluoromethoxy)benzene?
The canonical SMILES for 2-chloro-1-methyl-3-(trifluoromethoxy)benzene is Cc1cccc(OC(F)(F)F)c1Cl.
What is the InChIKey of 2-chloro-1-methyl-3-(trifluoromethoxy)benzene?
The InChIKey is WOWDRSJKAFESMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3O/c1-5-3-2-4-6(7(5)9)13-8(10,11)12/h2-4H,1H3.
What are the key properties of 2-chloro-1-methyl-3-(trifluoromethoxy)benzene?
2-chloro-1-methyl-3-(trifluoromethoxy)benzene has a molecular weight of 210.58 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methyl-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 118269051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).