(2S)-2-amino-4,4-difluorobutanoic acid;hydrochloride

C4H8ClF2NO2 — CID 87593555

IUPAC(2S)-2-amino-4,4-difluorobutanoic acid;hydrochloride
SMILESCl.N[C@@H](CC(F)F)C(=O)O
InChIInChI=1S/C4H7F2NO2.ClH/c5-3(6)1-2(7)4(8)9;/h2-3H,1,7H2,(H,8,9);1H/t2-;/m0./s1
InChIKeyIDBMHZUUXFKQTL-DKWTVANSSA-N
MW175.56 g/mol
LogP0.48
Rot. Bonds3

About (2S)-2-amino-4,4-difluorobutanoic acid;hydrochloride

(2S)-2-amino-4,4-difluorobutanoic acid;hydrochloride (PubChem CID 87593555) has the molecular formula C4H8ClF2NO2 and a molecular weight of 175.56 g/mol. Its IUPAC name is (2S)-2-amino-4,4-difluorobutanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4,4-difluorobutanoic acid;hydrochloride
PubChem CID87593555
Molecular FormulaC4H8ClF2NO2
Molecular Weight175.56 g/mol
Exact Mass175.02
IUPAC Name(2S)-2-amino-4,4-difluorobutanoic acid;hydrochloride
SMILESCl.N[C@@H](CC(F)F)C(=O)O
InChIInChI=1S/C4H7F2NO2.ClH/c5-3(6)1-2(7)4(8)9;/h2-3H,1,7H2,(H,8,9);1H/t2-;/m0./s1
InChIKeyIDBMHZUUXFKQTL-DKWTVANSSA-N
XLogP0.48
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.56
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4R)-2-amino-4-fluoropentanoic acid
CID 55283897
(2S,4S)-2,5-diamino-4-(18F)fluoropentanoic acid
CID 46207589
(2R)-2,5-diamino-4-fluoro-5-oxopentanoic acid
CID 87214948
2,4,6-triaminoheptanedioic acid
CID 71362819
(2S)-2-amino-4-fluoro-5-methylhexanoic acid
CID 45082488
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
(2R)-2-amino-4-hydroxypentanedioic acid
CID 59133640
(2S)-2-amino-4-(114C)methyl(514C)pentanoic acid
CID 10240856
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
(2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride
CID 135331136
(2R,4S)-2,4-diamino-5,5,5-trifluoropentanoic acid
CID 95241054
(2S)-2-amino-4-chloropentanoic acid;hydrochloride
CID 141325915

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4,4-difluorobutanoic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-4,4-difluorobutanoic acid;hydrochloride (CID 87593555) is (2S)-2-amino-4,4-difluorobutanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-4,4-difluorobutanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-4,4-difluorobutanoic acid;hydrochloride is Cl.N[C@@H](CC(F)F)C(=O)O.
What is the InChIKey of (2S)-2-amino-4,4-difluorobutanoic acid;hydrochloride?
The InChIKey is IDBMHZUUXFKQTL-DKWTVANSSA-N. The full InChI is InChI=1S/C4H7F2NO2.ClH/c5-3(6)1-2(7)4(8)9;/h2-3H,1,7H2,(H,8,9);1H/t2-;/m0./s1.
What are the key properties of (2S)-2-amino-4,4-difluorobutanoic acid;hydrochloride?
(2S)-2-amino-4,4-difluorobutanoic acid;hydrochloride has a molecular weight of 175.56 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4,4-difluorobutanoic acid;hydrochloride is sourced from PubChem (CID 87593555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).