1-chloro-3-methoxy-2-methyl-5-(trifluoromethyl)benzene

C9H8ClF3O — CID 20672271

IUPAC1-chloro-3-methoxy-2-methyl-5-(trifluoromethyl)benzene
SMILESCOc1cc(C(F)(F)F)cc(Cl)c1C
InChIInChI=1S/C9H8ClF3O/c1-5-7(10)3-6(9(11,12)13)4-8(5)14-2/h3-4H,1-2H3
InChIKeyIVXJSKCPLCYIDF-UHFFFAOYSA-N
MW224.61 g/mol
LogP3.68
Rot. Bonds1

About 1-chloro-3-methoxy-2-methyl-5-(trifluoromethyl)benzene

1-chloro-3-methoxy-2-methyl-5-(trifluoromethyl)benzene (PubChem CID 20672271) has the molecular formula C9H8ClF3O and a molecular weight of 224.61 g/mol. Its IUPAC name is 1-chloro-3-methoxy-2-methyl-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-3-methoxy-2-methyl-5-(trifluoromethyl)benzene
PubChem CID20672271
Molecular FormulaC9H8ClF3O
Molecular Weight224.61 g/mol
Exact Mass224.02
IUPAC Name1-chloro-3-methoxy-2-methyl-5-(trifluoromethyl)benzene
SMILESCOc1cc(C(F)(F)F)cc(Cl)c1C
InChIInChI=1S/C9H8ClF3O/c1-5-7(10)3-6(9(11,12)13)4-8(5)14-2/h3-4H,1-2H3
InChIKeyIVXJSKCPLCYIDF-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methoxy-2-methyl-5-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-3-methoxy-2-methyl-5-(trifluoromethyl)benzene (CID 20672271) is 1-chloro-3-methoxy-2-methyl-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-3-methoxy-2-methyl-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-3-methoxy-2-methyl-5-(trifluoromethyl)benzene is COc1cc(C(F)(F)F)cc(Cl)c1C.
What is the InChIKey of 1-chloro-3-methoxy-2-methyl-5-(trifluoromethyl)benzene?
The InChIKey is IVXJSKCPLCYIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O/c1-5-7(10)3-6(9(11,12)13)4-8(5)14-2/h3-4H,1-2H3.
What are the key properties of 1-chloro-3-methoxy-2-methyl-5-(trifluoromethyl)benzene?
1-chloro-3-methoxy-2-methyl-5-(trifluoromethyl)benzene has a molecular weight of 224.61 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methoxy-2-methyl-5-(trifluoromethyl)benzene is sourced from PubChem (CID 20672271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).