2-chloro-4-methoxy-1-(2,2,2-trifluoroethyl)benzene

C9H8ClF3O — CID 116932163

IUPAC2-chloro-4-methoxy-1-(2,2,2-trifluoroethyl)benzene
SMILESCOc1ccc(CC(F)(F)F)c(Cl)c1
InChIInChI=1S/C9H8ClF3O/c1-14-7-3-2-6(8(10)4-7)5-9(11,12)13/h2-4H,5H2,1H3
InChIKeyMYZXHDJVOGKZOT-UHFFFAOYSA-N
MW224.61 g/mol
LogP3.45
Rot. Bonds2

About 2-chloro-4-methoxy-1-(2,2,2-trifluoroethyl)benzene

2-chloro-4-methoxy-1-(2,2,2-trifluoroethyl)benzene (PubChem CID 116932163) has the molecular formula C9H8ClF3O and a molecular weight of 224.61 g/mol. Its IUPAC name is 2-chloro-4-methoxy-1-(2,2,2-trifluoroethyl)benzene.

Molecular Properties

Compound Name2-chloro-4-methoxy-1-(2,2,2-trifluoroethyl)benzene
PubChem CID116932163
Molecular FormulaC9H8ClF3O
Molecular Weight224.61 g/mol
Exact Mass224.02
IUPAC Name2-chloro-4-methoxy-1-(2,2,2-trifluoroethyl)benzene
SMILESCOc1ccc(CC(F)(F)F)c(Cl)c1
InChIInChI=1S/C9H8ClF3O/c1-14-7-3-2-6(8(10)4-7)5-9(11,12)13/h2-4H,5H2,1H3
InChIKeyMYZXHDJVOGKZOT-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-chloro-4-methoxy-1-(2,2,2-trifluoroethyl)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

N-[(2-chloro-4-methoxyphenyl)methyl]-2,2,2-trifluoroethanamine
CID 115257878
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
2-(2-chloro-4-methoxyphenyl)ethanol
CID 66697098
2-chloro-4-iodo-1-(2,2,2-trifluoroethyl)benzene
CID 71160025
2-(2-chloro-4-methoxyphenyl)acetaldehyde
CID 55274760
1-(3-bromopropyl)-2-chloro-4-methoxybenzene
CID 83942409
4-(2-chloro-4-methoxyphenyl)-2,2-dimethylbutan-1-amine
CID 65305189
2-[(2-chloro-4-methoxyphenyl)methyl]propane-1,3-diamine
CID 83942427
1-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 111824359
2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid
CID 115171143
2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol
CID 96658307
2-(2-chloro-4-methoxyphenyl)-N-methylacetamide
CID 18456580

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-1-(2,2,2-trifluoroethyl)benzene?
The IUPAC name of 2-chloro-4-methoxy-1-(2,2,2-trifluoroethyl)benzene (CID 116932163) is 2-chloro-4-methoxy-1-(2,2,2-trifluoroethyl)benzene.
What is the SMILES notation for 2-chloro-4-methoxy-1-(2,2,2-trifluoroethyl)benzene?
The canonical SMILES for 2-chloro-4-methoxy-1-(2,2,2-trifluoroethyl)benzene is COc1ccc(CC(F)(F)F)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methoxy-1-(2,2,2-trifluoroethyl)benzene?
The InChIKey is MYZXHDJVOGKZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O/c1-14-7-3-2-6(8(10)4-7)5-9(11,12)13/h2-4H,5H2,1H3.
What are the key properties of 2-chloro-4-methoxy-1-(2,2,2-trifluoroethyl)benzene?
2-chloro-4-methoxy-1-(2,2,2-trifluoroethyl)benzene has a molecular weight of 224.61 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-1-(2,2,2-trifluoroethyl)benzene is sourced from PubChem (CID 116932163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).