1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone

C15H10ClF3O2 — CID 20571965

IUPAC1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1Oc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10ClF3O2/c1-9(20)11-4-2-3-5-13(11)21-14-7-6-10(8-12(14)16)15(17,18)19/h2-8H,1H3
InChIKeyPIYCMIATFGHCMF-UHFFFAOYSA-N
MW314.69 g/mol
LogP5.35
Rot. Bonds3

About 1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone

1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone (PubChem CID 20571965) has the molecular formula C15H10ClF3O2 and a molecular weight of 314.69 g/mol. Its IUPAC name is 1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone
PubChem CID20571965
Molecular FormulaC15H10ClF3O2
Molecular Weight314.69 g/mol
Exact Mass314.03
IUPAC Name1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1Oc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10ClF3O2/c1-9(20)11-4-2-3-5-13(11)21-14-7-6-10(8-12(14)16)15(17,18)19/h2-8H,1H3
InChIKeyPIYCMIATFGHCMF-UHFFFAOYSA-N
XLogP5.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.69
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-bromo-2-chlorophenoxy)phenyl]ethanone
CID 28880169
CID 162325333
CID 162325333
2-[2-chloro-4-(trifluoromethyl)phenoxy]benzonitrile
CID 83409482
[2-chloro-4-(trifluoromethyl)phenyl] carbamate
CID 68755563
1-[2-(3,4-dichlorophenoxy)phenyl]ethanone
CID 60699063
2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide
CID 19073039
1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene
CID 70799689
1-[2-[4-[1-[4-(2-acetylphenoxy)phenyl]-1,2,2,3,3,3-hexafluoropropyl]phenoxy]phenyl]ethanone
CID 57065499
1-[2-(2-chloro-4-fluorophenoxy)phenyl]propan-1-one
CID 112677592
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxybenzoic acid
CID 14554243
2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene
CID 124704375
4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 12940613

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone (CID 20571965) is 1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone is CC(=O)c1ccccc1Oc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone?
The InChIKey is PIYCMIATFGHCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O2/c1-9(20)11-4-2-3-5-13(11)21-14-7-6-10(8-12(14)16)15(17,18)19/h2-8H,1H3.
What are the key properties of 1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone?
1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone has a molecular weight of 314.69 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone is sourced from PubChem (CID 20571965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).