2-(3,4-difluorophenyl)-2-fluoroacetyl chloride

C8H4ClF3O — CID 174899549

IUPAC2-(3,4-difluorophenyl)-2-fluoroacetyl chloride
SMILESO=C(Cl)C(F)c1ccc(F)c(F)c1
InChIInChI=1S/C8H4ClF3O/c9-8(13)7(12)4-1-2-5(10)6(11)3-4/h1-3,7H
InChIKeyAZLRHVUGGFWTJI-UHFFFAOYSA-N
MW208.57 g/mol
LogP2.74
Rot. Bonds2

About 2-(3,4-difluorophenyl)-2-fluoroacetyl chloride

2-(3,4-difluorophenyl)-2-fluoroacetyl chloride (PubChem CID 174899549) has the molecular formula C8H4ClF3O and a molecular weight of 208.57 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-fluoroacetyl chloride.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-fluoroacetyl chloride
PubChem CID174899549
Molecular FormulaC8H4ClF3O
Molecular Weight208.57 g/mol
Exact Mass207.99
IUPAC Name2-(3,4-difluorophenyl)-2-fluoroacetyl chloride
SMILESO=C(Cl)C(F)c1ccc(F)c(F)c1
InChIInChI=1S/C8H4ClF3O/c9-8(13)7(12)4-1-2-5(10)6(11)3-4/h1-3,7H
InChIKeyAZLRHVUGGFWTJI-UHFFFAOYSA-N
XLogP2.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.57
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-bis(3,4-difluorophenyl)acetic acid
CID 20677452
(1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine
CID 124654147
2-bromo-2-(3,4-difluorophenyl)acetic acid
CID 22626650
(2S)-2-azaniumyl-2-(3,4-difluorophenyl)acetate
CID 7019553
2-amino-2-(3,4-difluorophenyl)acetic acid;hydrochloride
CID 24730258
azane;1,2-difluoro-4-(1,2,2-trifluoroethyl)benzene
CID 175581175
(2S,3S)-3-(4-chlorophenyl)-2-cyano-3-(3,4-difluorophenyl)propanoic acid
CID 129385383
(2R,3R)-3-(4-chlorophenyl)-2-cyano-3-(3,4-difluorophenyl)propanoic acid
CID 129385384
2-chloro-N-[1-(3,4-difluorophenyl)ethyl]propanamide
CID 43697344
methyl (2R,3S)-3-amino-3-(3,4-difluorophenyl)-2-hydroxypropanoate
CID 57167178
2-(3,4-difluorophenyl)pentan-3-one
CID 79307864
(1R,2S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 55272052

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-fluoroacetyl chloride?
The IUPAC name of 2-(3,4-difluorophenyl)-2-fluoroacetyl chloride (CID 174899549) is 2-(3,4-difluorophenyl)-2-fluoroacetyl chloride.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-fluoroacetyl chloride?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-fluoroacetyl chloride is O=C(Cl)C(F)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-fluoroacetyl chloride?
The InChIKey is AZLRHVUGGFWTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3O/c9-8(13)7(12)4-1-2-5(10)6(11)3-4/h1-3,7H.
What are the key properties of 2-(3,4-difluorophenyl)-2-fluoroacetyl chloride?
2-(3,4-difluorophenyl)-2-fluoroacetyl chloride has a molecular weight of 208.57 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-fluoroacetyl chloride is sourced from PubChem (CID 174899549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).