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

C9H6ClF3O — CID 102290482

IUPAC4-chloro-1-methoxy-2-(1,2,2-trifluoroethenyl)benzene
SMILESCOc1ccc(Cl)cc1C(F)=C(F)F
InChIInChI=1S/C9H6ClF3O/c1-14-7-3-2-5(10)4-6(7)8(11)9(12)13/h2-4H,1H3
InChIKeyKCFFRIURTKHQBV-UHFFFAOYSA-N
MW222.59 g/mol
LogP3.88
Rot. Bonds2

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

4-chloro-1-methoxy-2-(1,2,2-trifluoroethenyl)benzene (PubChem CID 102290482) has the molecular formula C9H6ClF3O and a molecular weight of 222.59 g/mol. Its IUPAC name is 4-chloro-1-methoxy-2-(1,2,2-trifluoroethenyl)benzene.

Molecular Properties

Compound Name4-chloro-1-methoxy-2-(1,2,2-trifluoroethenyl)benzene
PubChem CID102290482
Molecular FormulaC9H6ClF3O
Molecular Weight222.59 g/mol
Exact Mass222.01
IUPAC Name4-chloro-1-methoxy-2-(1,2,2-trifluoroethenyl)benzene
SMILESCOc1ccc(Cl)cc1C(F)=C(F)F
InChIInChI=1S/C9H6ClF3O/c1-14-7-3-2-5(10)4-6(7)8(11)9(12)13/h2-4H,1H3
InChIKeyKCFFRIURTKHQBV-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.59
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methoxy-2-(1,2,2-trifluoroethenyl)benzene?
The IUPAC name of 4-chloro-1-methoxy-2-(1,2,2-trifluoroethenyl)benzene (CID 102290482) is 4-chloro-1-methoxy-2-(1,2,2-trifluoroethenyl)benzene.
What is the SMILES notation for 4-chloro-1-methoxy-2-(1,2,2-trifluoroethenyl)benzene?
The canonical SMILES for 4-chloro-1-methoxy-2-(1,2,2-trifluoroethenyl)benzene is COc1ccc(Cl)cc1C(F)=C(F)F.
What is the InChIKey of 4-chloro-1-methoxy-2-(1,2,2-trifluoroethenyl)benzene?
The InChIKey is KCFFRIURTKHQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3O/c1-14-7-3-2-5(10)4-6(7)8(11)9(12)13/h2-4H,1H3.
What are the key properties of 4-chloro-1-methoxy-2-(1,2,2-trifluoroethenyl)benzene?
4-chloro-1-methoxy-2-(1,2,2-trifluoroethenyl)benzene has a molecular weight of 222.59 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methoxy-2-(1,2,2-trifluoroethenyl)benzene is sourced from PubChem (CID 102290482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).