2-chloro-3-(2-fluorophenyl)propanoyl chloride

C9H7Cl2FO — CID 82054468

IUPAC2-chloro-3-(2-fluorophenyl)propanoyl chloride
SMILESO=C(Cl)C(Cl)Cc1ccccc1F
InChIInChI=1S/C9H7Cl2FO/c10-7(9(11)13)5-6-3-1-2-4-8(6)12/h1-4,7H,5H2
InChIKeyAXYNXWITOMPXGT-UHFFFAOYSA-N
MW221.06 g/mol
LogP2.74
Rot. Bonds3

About 2-chloro-3-(2-fluorophenyl)propanoyl chloride

2-chloro-3-(2-fluorophenyl)propanoyl chloride (PubChem CID 82054468) has the molecular formula C9H7Cl2FO and a molecular weight of 221.06 g/mol. Its IUPAC name is 2-chloro-3-(2-fluorophenyl)propanoyl chloride.

Molecular Properties

Compound Name2-chloro-3-(2-fluorophenyl)propanoyl chloride
PubChem CID82054468
Molecular FormulaC9H7Cl2FO
Molecular Weight221.06 g/mol
Exact Mass219.99
IUPAC Name2-chloro-3-(2-fluorophenyl)propanoyl chloride
SMILESO=C(Cl)C(Cl)Cc1ccccc1F
InChIInChI=1S/C9H7Cl2FO/c10-7(9(11)13)5-6-3-1-2-4-8(6)12/h1-4,7H,5H2
InChIKeyAXYNXWITOMPXGT-UHFFFAOYSA-N
XLogP2.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.06
LogP ≤ 52.74
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-chloro-3-(2-fluorophenyl)propanal
CID 62393370
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
3-(2-fluorophenyl)-2-methylpropanethioic S-acid
CID 139753124
2-chloro-3-[2-chloro-5-(1,3-dioxoisoindol-2-yl)-4-fluorophenyl]propanoyl chloride
CID 22623295
(2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid
CID 42329482
2-[(2-fluorophenyl)methyl]-3-sulfanylpropanoic acid
CID 15673449
(3R)-3-amino-4-(2-fluorophenyl)butanamide
CID 143290720
methyl 2-chloro-3-(2,3-difluorophenyl)propanoate
CID 83195193
(4R)-4-amino-5-(2-fluorophenyl)pentan-2-one
CID 59650649
2-chloro-3-(5-chloro-2-methylphenyl)propanoyl chloride
CID 82054638
N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-fluorophenyl)propanoyl chloride?
The IUPAC name of 2-chloro-3-(2-fluorophenyl)propanoyl chloride (CID 82054468) is 2-chloro-3-(2-fluorophenyl)propanoyl chloride.
What is the SMILES notation for 2-chloro-3-(2-fluorophenyl)propanoyl chloride?
The canonical SMILES for 2-chloro-3-(2-fluorophenyl)propanoyl chloride is O=C(Cl)C(Cl)Cc1ccccc1F.
What is the InChIKey of 2-chloro-3-(2-fluorophenyl)propanoyl chloride?
The InChIKey is AXYNXWITOMPXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2FO/c10-7(9(11)13)5-6-3-1-2-4-8(6)12/h1-4,7H,5H2.
What are the key properties of 2-chloro-3-(2-fluorophenyl)propanoyl chloride?
2-chloro-3-(2-fluorophenyl)propanoyl chloride has a molecular weight of 221.06 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-fluorophenyl)propanoyl chloride is sourced from PubChem (CID 82054468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).