1-(4-chloro-2-hydroxyphenyl)-2,2,2-trifluoroethanone

C8H4ClF3O2 — CID 146015296

IUPAC1-(4-chloro-2-hydroxyphenyl)-2,2,2-trifluoroethanone
SMILESO=C(c1ccc(Cl)cc1O)C(F)(F)F
InChIInChI=1S/C8H4ClF3O2/c9-4-1-2-5(6(13)3-4)7(14)8(10,11)12/h1-3,13H
InChIKeyZOCOISZPDQVWOO-UHFFFAOYSA-N
MW224.56 g/mol
LogP2.79
Rot. Bonds1

About 1-(4-chloro-2-hydroxyphenyl)-2,2,2-trifluoroethanone

1-(4-chloro-2-hydroxyphenyl)-2,2,2-trifluoroethanone (PubChem CID 146015296) has the molecular formula C8H4ClF3O2 and a molecular weight of 224.56 g/mol. Its IUPAC name is 1-(4-chloro-2-hydroxyphenyl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(4-chloro-2-hydroxyphenyl)-2,2,2-trifluoroethanone
PubChem CID146015296
Molecular FormulaC8H4ClF3O2
Molecular Weight224.56 g/mol
Exact Mass223.99
IUPAC Name1-(4-chloro-2-hydroxyphenyl)-2,2,2-trifluoroethanone
SMILESO=C(c1ccc(Cl)cc1O)C(F)(F)F
InChIInChI=1S/C8H4ClF3O2/c9-4-1-2-5(6(13)3-4)7(14)8(10,11)12/h1-3,13H
InChIKeyZOCOISZPDQVWOO-UHFFFAOYSA-N
XLogP2.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.56
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-methylphenyl)-2,2,2-trifluoroethanone
CID 2757718
2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone
CID 2761164
1-[5-chloro-2-(phosphanylamino)phenyl]-2,2,2-trifluoroethanone
CID 58713618
2-chloro-1-(2,4-dichlorophenyl)-2,2-difluoroethanone
CID 130477601
4-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-hydroxybenzamide
CID 115364597
(4-chloro-2-hydroxyphenyl)-(3-hydroxy-2-pyridinyl)methanone
CID 10682094
N-(2-bromoethyl)-4-chloro-2-hydroxybenzamide
CID 114307488
1-(2-amino-5-chloro-3-fluorophenyl)-2,2,2-trifluoroethanone
CID 18386558
2-chloro-1-(4-chloro-2-methylphenyl)-2,2-difluoroethanone
CID 91658436
4-chloro-N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-hydroxybenzamide
CID 107867828
4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-2-hydroxybenzamide
CID 28537404
4-chloro-2-hydroxy-N-(3-methoxypropyl)benzamide
CID 43090061

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-hydroxyphenyl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(4-chloro-2-hydroxyphenyl)-2,2,2-trifluoroethanone (CID 146015296) is 1-(4-chloro-2-hydroxyphenyl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(4-chloro-2-hydroxyphenyl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(4-chloro-2-hydroxyphenyl)-2,2,2-trifluoroethanone is O=C(c1ccc(Cl)cc1O)C(F)(F)F.
What is the InChIKey of 1-(4-chloro-2-hydroxyphenyl)-2,2,2-trifluoroethanone?
The InChIKey is ZOCOISZPDQVWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3O2/c9-4-1-2-5(6(13)3-4)7(14)8(10,11)12/h1-3,13H.
What are the key properties of 1-(4-chloro-2-hydroxyphenyl)-2,2,2-trifluoroethanone?
1-(4-chloro-2-hydroxyphenyl)-2,2,2-trifluoroethanone has a molecular weight of 224.56 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-hydroxyphenyl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 146015296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).