2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl chloride

C9H6ClF3O2 — CID 57421218

IUPAC2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl chloride
SMILESO=C(Cl)C(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H6ClF3O2/c10-8(15)7(14)5-1-3-6(4-2-5)9(11,12)13/h1-4,7,14H
InChIKeyFMUJHFPITBEPGJ-UHFFFAOYSA-N
MW238.59 g/mol
LogP2.50
Rot. Bonds2

About 2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl chloride

2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl chloride (PubChem CID 57421218) has the molecular formula C9H6ClF3O2 and a molecular weight of 238.59 g/mol. Its IUPAC name is 2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl chloride.

Molecular Properties

Compound Name2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl chloride
PubChem CID57421218
Molecular FormulaC9H6ClF3O2
Molecular Weight238.59 g/mol
Exact Mass238.00
IUPAC Name2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl chloride
SMILESO=C(Cl)C(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H6ClF3O2/c10-8(15)7(14)5-1-3-6(4-2-5)9(11,12)13/h1-4,7,14H
InChIKeyFMUJHFPITBEPGJ-UHFFFAOYSA-N
XLogP2.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.59
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoro-2-[4-(trifluoromethyl)phenyl]acetyl chloride
CID 23365645
(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetic acid;methyl 2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetate
CID 160817658
2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 129032345
(1R,2S,4S,5R)-1,5-dihydroxy-2,4-dimethyl-1,5-bis[4-(trifluoromethyl)phenyl]pentan-3-one
CID 177451871
2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol
CID 79016422
(4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one
CID 11593826
(2R)-2-amino-2-[4-(trifluoromethyl)phenyl]acetamide
CID 86315213
dichloromethane;1-[4-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone
CID 90933922
[2-hydroxy-1,2-bis[4-(trifluoromethyl)phenyl]ethylidene]-oxidooxidanium
CID 141346430
(2R)-2-azaniumyl-2-[4-(trifluoromethyl)phenyl]acetate
CID 7128415
(2S)-2-amino-3,3-bis[4-(trifluoromethyl)phenyl]propanoic acid
CID 25107037
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl chloride?
The IUPAC name of 2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl chloride (CID 57421218) is 2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl chloride.
What is the SMILES notation for 2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl chloride?
The canonical SMILES for 2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl chloride is O=C(Cl)C(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl chloride?
The InChIKey is FMUJHFPITBEPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3O2/c10-8(15)7(14)5-1-3-6(4-2-5)9(11,12)13/h1-4,7,14H.
What are the key properties of 2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl chloride?
2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl chloride has a molecular weight of 238.59 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl chloride is sourced from PubChem (CID 57421218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).