2,2-difluoro-2-(3-hydroxyphenyl)acetyl chloride

C8H5ClF2O2 — CID 105459733

IUPAC2,2-difluoro-2-(3-hydroxyphenyl)acetyl chloride
SMILESO=C(Cl)C(F)(F)c1cccc(O)c1
InChIInChI=1S/C8H5ClF2O2/c9-7(13)8(10,11)5-2-1-3-6(12)4-5/h1-4,12H
InChIKeyTUZWOKCKXMDMPI-UHFFFAOYSA-N
MW206.58 g/mol
LogP2.25
Rot. Bonds2

About 2,2-difluoro-2-(3-hydroxyphenyl)acetyl chloride

2,2-difluoro-2-(3-hydroxyphenyl)acetyl chloride (PubChem CID 105459733) has the molecular formula C8H5ClF2O2 and a molecular weight of 206.58 g/mol. Its IUPAC name is 2,2-difluoro-2-(3-hydroxyphenyl)acetyl chloride.

Molecular Properties

Compound Name2,2-difluoro-2-(3-hydroxyphenyl)acetyl chloride
PubChem CID105459733
Molecular FormulaC8H5ClF2O2
Molecular Weight206.58 g/mol
Exact Mass205.99
IUPAC Name2,2-difluoro-2-(3-hydroxyphenyl)acetyl chloride
SMILESO=C(Cl)C(F)(F)c1cccc(O)c1
InChIInChI=1S/C8H5ClF2O2/c9-7(13)8(10,11)5-2-1-3-6(12)4-5/h1-4,12H
InChIKeyTUZWOKCKXMDMPI-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
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

3-(trifluoromethyl)phenol;hydrochloride
CID 175833042
(2R)-2-amino-3,3,3-trifluoro-2-(3-hydroxyphenyl)propanoic acid
CID 131872454
benzene-1,3-diol;2,2,2-trifluoroacetic acid
CID 70611467
2-fluoro-2-(3-hydroxyphenyl)propanal
CID 105433688
(2S)-2-amino-2-chloro-2-(3-hydroxyphenyl)acetic acid
CID 101081990
3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol
CID 20564680
2,2-difluoro-2-[4-(trifluoromethyl)phenyl]acetyl chloride
CID 23365645
3,3-bis(3-hydroxyphenyl)pentanediamide
CID 142654567
3-(2-amino-1,1-difluoro-2-methylpropyl)phenol
CID 105453347
N'-(3-hydroxybenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 17393057
3-(1,1-difluoro-2-methylpropan-2-yl)phenol
CID 105442000
3-[1,1,2-tris(phosphanyl)ethyl]phenol
CID 163697012

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(3-hydroxyphenyl)acetyl chloride?
The IUPAC name of 2,2-difluoro-2-(3-hydroxyphenyl)acetyl chloride (CID 105459733) is 2,2-difluoro-2-(3-hydroxyphenyl)acetyl chloride.
What is the SMILES notation for 2,2-difluoro-2-(3-hydroxyphenyl)acetyl chloride?
The canonical SMILES for 2,2-difluoro-2-(3-hydroxyphenyl)acetyl chloride is O=C(Cl)C(F)(F)c1cccc(O)c1.
What is the InChIKey of 2,2-difluoro-2-(3-hydroxyphenyl)acetyl chloride?
The InChIKey is TUZWOKCKXMDMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2O2/c9-7(13)8(10,11)5-2-1-3-6(12)4-5/h1-4,12H.
What are the key properties of 2,2-difluoro-2-(3-hydroxyphenyl)acetyl chloride?
2,2-difluoro-2-(3-hydroxyphenyl)acetyl chloride has a molecular weight of 206.58 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(3-hydroxyphenyl)acetyl chloride is sourced from PubChem (CID 105459733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).