2-chloro-1-methoxy-4-(trifluoromethyl)benzene

C8H6ClF3O — CID 54413375

IUPAC2-chloro-1-methoxy-4-(trifluoromethyl)benzene
SMILESCOc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H6ClF3O/c1-13-7-3-2-5(4-6(7)9)8(10,11)12/h2-4H,1H3
InChIKeyVVRXOIBFPBBYRU-UHFFFAOYSA-N
MW210.58 g/mol
LogP3.37
Rot. Bonds1

About 2-chloro-1-methoxy-4-(trifluoromethyl)benzene

2-chloro-1-methoxy-4-(trifluoromethyl)benzene (PubChem CID 54413375) has the molecular formula C8H6ClF3O and a molecular weight of 210.58 g/mol. Its IUPAC name is 2-chloro-1-methoxy-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-chloro-1-methoxy-4-(trifluoromethyl)benzene
PubChem CID54413375
Molecular FormulaC8H6ClF3O
Molecular Weight210.58 g/mol
Exact Mass210.01
IUPAC Name2-chloro-1-methoxy-4-(trifluoromethyl)benzene
SMILESCOc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H6ClF3O/c1-13-7-3-2-5(4-6(7)9)8(10,11)12/h2-4H,1H3
InChIKeyVVRXOIBFPBBYRU-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methoxy-4-(trifluoromethyl)benzene?
The IUPAC name of 2-chloro-1-methoxy-4-(trifluoromethyl)benzene (CID 54413375) is 2-chloro-1-methoxy-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-chloro-1-methoxy-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-chloro-1-methoxy-4-(trifluoromethyl)benzene is COc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-1-methoxy-4-(trifluoromethyl)benzene?
The InChIKey is VVRXOIBFPBBYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3O/c1-13-7-3-2-5(4-6(7)9)8(10,11)12/h2-4H,1H3.
What are the key properties of 2-chloro-1-methoxy-4-(trifluoromethyl)benzene?
2-chloro-1-methoxy-4-(trifluoromethyl)benzene has a molecular weight of 210.58 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methoxy-4-(trifluoromethyl)benzene is sourced from PubChem (CID 54413375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).