(2S)-2-chloro-2-fluoroacetyl fluoride

C2HClF2O — CID 26985820

IUPAC(2S)-2-chloro-2-fluoroacetyl fluoride
SMILESO=C(F)[C@@H](F)Cl
InChIInChI=1S/C2HClF2O/c3-1(4)2(5)6/h1H/t1-/m1/s1
InChIKeyYKNVBFORMKGBOI-PVQJCKRUSA-N
MW114.48 g/mol
LogP1.02
Rot. Bonds1

About (2S)-2-chloro-2-fluoroacetyl fluoride

(2S)-2-chloro-2-fluoroacetyl fluoride (PubChem CID 26985820) has the molecular formula C2HClF2O and a molecular weight of 114.48 g/mol. Its IUPAC name is (2S)-2-chloro-2-fluoroacetyl fluoride.

Molecular Properties

Compound Name(2S)-2-chloro-2-fluoroacetyl fluoride
PubChem CID26985820
Molecular FormulaC2HClF2O
Molecular Weight114.48 g/mol
Exact Mass113.97
IUPAC Name(2S)-2-chloro-2-fluoroacetyl fluoride
SMILESO=C(F)[C@@H](F)Cl
InChIInChI=1S/C2HClF2O/c3-1(4)2(5)6/h1H/t1-/m1/s1
InChIKeyYKNVBFORMKGBOI-PVQJCKRUSA-N
XLogP1.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.48
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoropropanedioyl difluoride
CID 13319075
cesium;potassium;2-chloro-2-fluoroacetic acid;hydride
CID 175155276
potassium;fluoro 2-chloro-2-fluoroacetate;hydride
CID 174388966
3-chloro-1,2,3-trifluoroprop-1-ene
CID 54378571
chloro(difluoro)methane
CID 102425690
2,2-difluoroacetyl chloride;hydrochloride
CID 162572383
(2R)-2-chloro-2-fluoro-1-phenylethanone
CID 93494146
1-chloro-1-fluorohexan-2-one
CID 45119049
3-chlorobutanoyl fluoride
CID 100983316
2-amino-3-chloro-3-fluoropropanoic acid
CID 18523013
(2R)-2-chloro-1-(4-chlorophenyl)-2-fluoroethanone
CID 93494356
carbon dioxide;chloro(difluoro)methane
CID 161091167

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-2-fluoroacetyl fluoride?
The IUPAC name of (2S)-2-chloro-2-fluoroacetyl fluoride (CID 26985820) is (2S)-2-chloro-2-fluoroacetyl fluoride.
What is the SMILES notation for (2S)-2-chloro-2-fluoroacetyl fluoride?
The canonical SMILES for (2S)-2-chloro-2-fluoroacetyl fluoride is O=C(F)[C@@H](F)Cl.
What is the InChIKey of (2S)-2-chloro-2-fluoroacetyl fluoride?
The InChIKey is YKNVBFORMKGBOI-PVQJCKRUSA-N. The full InChI is InChI=1S/C2HClF2O/c3-1(4)2(5)6/h1H/t1-/m1/s1.
What are the key properties of (2S)-2-chloro-2-fluoroacetyl fluoride?
(2S)-2-chloro-2-fluoroacetyl fluoride has a molecular weight of 114.48 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-2-fluoroacetyl fluoride is sourced from PubChem (CID 26985820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).