2-amino-3-chloro-3-fluoropropanoic acid

C3H5ClFNO2 — CID 18523013

IUPAC2-amino-3-chloro-3-fluoropropanoic acid
SMILESNC(C(=O)O)C(F)Cl
InChIInChI=1S/C3H5ClFNO2/c4-2(5)1(6)3(7)8/h1-2H,6H2,(H,7,8)
InChIKeyRNFZGRSYMZCLLJ-UHFFFAOYSA-N
MW141.53 g/mol
LogP-0.07
Rot. Bonds2

About 2-amino-3-chloro-3-fluoropropanoic acid

2-amino-3-chloro-3-fluoropropanoic acid (PubChem CID 18523013) has the molecular formula C3H5ClFNO2 and a molecular weight of 141.53 g/mol. Its IUPAC name is 2-amino-3-chloro-3-fluoropropanoic acid.

Molecular Properties

Compound Name2-amino-3-chloro-3-fluoropropanoic acid
PubChem CID18523013
Molecular FormulaC3H5ClFNO2
Molecular Weight141.53 g/mol
Exact Mass141.00
IUPAC Name2-amino-3-chloro-3-fluoropropanoic acid
SMILESNC(C(=O)O)C(F)Cl
InChIInChI=1S/C3H5ClFNO2/c4-2(5)1(6)3(7)8/h1-2H,6H2,(H,7,8)
InChIKeyRNFZGRSYMZCLLJ-UHFFFAOYSA-N
XLogP-0.07
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.53
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2-amino-3-chloro-3-hydroxypropanoic acid
CID 174951992
(2R)-2-amino-3-bromo-3-chloropropanoic acid
CID 141078930
2-amino-3-(4-chlorophenyl)-3-fluoropropanoic acid
CID 12799522
(2R)-2-amino-4-fluoro-3-methylbutanoic acid;hydrochloride
CID 88817643
(2S)-2-amino-3-methylbutanoic acid;carbonyl dichloride
CID 87642721
cesium;potassium;2-chloro-2-fluoroacetic acid;hydride
CID 175155276
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
2-amino-3-fluorohexanoic acid
CID 2737444
(2S,3S)-2-amino-5-fluoro-3-methylpentanoic acid
CID 54172835
copper;2,2-difluoroacetic acid
CID 88507984
2,2-difluoroacetic acid;gallane
CID 173230413
(2S)-2-amino-3-methylbutanoic acid;benzene;chloromethane
CID 159269253

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-3-fluoropropanoic acid?
The IUPAC name of 2-amino-3-chloro-3-fluoropropanoic acid (CID 18523013) is 2-amino-3-chloro-3-fluoropropanoic acid.
What is the SMILES notation for 2-amino-3-chloro-3-fluoropropanoic acid?
The canonical SMILES for 2-amino-3-chloro-3-fluoropropanoic acid is NC(C(=O)O)C(F)Cl.
What is the InChIKey of 2-amino-3-chloro-3-fluoropropanoic acid?
The InChIKey is RNFZGRSYMZCLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClFNO2/c4-2(5)1(6)3(7)8/h1-2H,6H2,(H,7,8).
What are the key properties of 2-amino-3-chloro-3-fluoropropanoic acid?
2-amino-3-chloro-3-fluoropropanoic acid has a molecular weight of 141.53 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-3-fluoropropanoic acid is sourced from PubChem (CID 18523013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).