2-chloro-1-(3-fluorophenoxy)-4-(trifluoromethyl)benzene

C13H7ClF4O — CID 19932393

IUPAC2-chloro-1-(3-fluorophenoxy)-4-(trifluoromethyl)benzene
SMILESFc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C13H7ClF4O/c14-11-6-8(13(16,17)18)4-5-12(11)19-10-3-1-2-9(15)7-10/h1-7H
InChIKeyJSYLSVFZSZMDQU-UHFFFAOYSA-N
MW290.64 g/mol
LogP5.29
Rot. Bonds2

About 2-chloro-1-(3-fluorophenoxy)-4-(trifluoromethyl)benzene

2-chloro-1-(3-fluorophenoxy)-4-(trifluoromethyl)benzene (PubChem CID 19932393) has the molecular formula C13H7ClF4O and a molecular weight of 290.64 g/mol. Its IUPAC name is 2-chloro-1-(3-fluorophenoxy)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-chloro-1-(3-fluorophenoxy)-4-(trifluoromethyl)benzene
PubChem CID19932393
Molecular FormulaC13H7ClF4O
Molecular Weight290.64 g/mol
Exact Mass290.01
IUPAC Name2-chloro-1-(3-fluorophenoxy)-4-(trifluoromethyl)benzene
SMILESFc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C13H7ClF4O/c14-11-6-8(13(16,17)18)4-5-12(11)19-10-3-1-2-9(15)7-10/h1-7H
InChIKeyJSYLSVFZSZMDQU-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.64
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3-fluorophenoxy)-4-(trifluoromethyl)benzene?
The IUPAC name of 2-chloro-1-(3-fluorophenoxy)-4-(trifluoromethyl)benzene (CID 19932393) is 2-chloro-1-(3-fluorophenoxy)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-chloro-1-(3-fluorophenoxy)-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-chloro-1-(3-fluorophenoxy)-4-(trifluoromethyl)benzene is Fc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 2-chloro-1-(3-fluorophenoxy)-4-(trifluoromethyl)benzene?
The InChIKey is JSYLSVFZSZMDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF4O/c14-11-6-8(13(16,17)18)4-5-12(11)19-10-3-1-2-9(15)7-10/h1-7H.
What are the key properties of 2-chloro-1-(3-fluorophenoxy)-4-(trifluoromethyl)benzene?
2-chloro-1-(3-fluorophenoxy)-4-(trifluoromethyl)benzene has a molecular weight of 290.64 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3-fluorophenoxy)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 19932393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).