(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl chloride

C8H5ClF2O2 — CID 93494359

IUPAC(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl chloride
SMILESO=C(Cl)[C@@H](O)c1cc(F)cc(F)c1
InChIInChI=1S/C8H5ClF2O2/c9-8(13)7(12)4-1-5(10)3-6(11)2-4/h1-3,7,12H/t7-/m0/s1
InChIKeyZXZMKNDGPOMXJL-ZETCQYMHSA-N
MW206.58 g/mol
LogP1.76
Rot. Bonds2

About (2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl chloride

(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl chloride (PubChem CID 93494359) has the molecular formula C8H5ClF2O2 and a molecular weight of 206.58 g/mol. Its IUPAC name is (2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl chloride.

Molecular Properties

Compound Name(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl chloride
PubChem CID93494359
Molecular FormulaC8H5ClF2O2
Molecular Weight206.58 g/mol
Exact Mass205.99
IUPAC Name(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl chloride
SMILESO=C(Cl)[C@@H](O)c1cc(F)cc(F)c1
InChIInChI=1S/C8H5ClF2O2/c9-8(13)7(12)4-1-5(10)3-6(11)2-4/h1-3,7,12H/t7-/m0/s1
InChIKeyZXZMKNDGPOMXJL-ZETCQYMHSA-N
XLogP1.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.58
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride
CID 70033662
(3,5-difluorophenyl)methanediol
CID 142893041
2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 79021468
2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl chloride
CID 57421218
1-amino-1-(3,5-difluorophenyl)propan-2-one
CID 55271172
1-(3,5-difluorophenyl)ethanol;1-(3,5-difluorophenyl)ethanone
CID 158070226
(1R)-3-chloro-1-(3,5-difluorophenyl)propan-1-ol
CID 146430638
4-chloro-2-(3,5-difluorophenyl)butanoic acid
CID 90987442
(2S)-2-[[2-(3,5-difluorophenyl)-2-hydroxyethyl]amino]propanoic acid
CID 131723865
acetic acid;1,3,5-trifluorobenzene
CID 162178148
methyl 3-(3,5-difluorophenyl)-3-hydroxypropanoate
CID 19770417
ethyl 2-chloro-2-(3,5-difluorophenyl)acetate
CID 106531981

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl chloride?
The IUPAC name of (2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl chloride (CID 93494359) is (2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl chloride.
What is the SMILES notation for (2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl chloride?
The canonical SMILES for (2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl chloride is O=C(Cl)[C@@H](O)c1cc(F)cc(F)c1.
What is the InChIKey of (2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl chloride?
The InChIKey is ZXZMKNDGPOMXJL-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H5ClF2O2/c9-8(13)7(12)4-1-5(10)3-6(11)2-4/h1-3,7,12H/t7-/m0/s1.
What are the key properties of (2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl chloride?
(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl chloride has a molecular weight of 206.58 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl chloride is sourced from PubChem (CID 93494359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).