2-amino-4,4-difluoropentanoic acid;hydrochloride

C5H10ClF2NO2 — CID 87665395

IUPAC2-amino-4,4-difluoropentanoic acid;hydrochloride
SMILESCC(F)(F)CC(N)C(=O)O.Cl
InChIInChI=1S/C5H9F2NO2.ClH/c1-5(6,7)2-3(8)4(9)10;/h3H,2,8H2,1H3,(H,9,10);1H
InChIKeyAAHBHFNOWUKJKM-UHFFFAOYSA-N
MW189.59 g/mol
LogP0.87
Rot. Bonds3

About 2-amino-4,4-difluoropentanoic acid;hydrochloride

2-amino-4,4-difluoropentanoic acid;hydrochloride (PubChem CID 87665395) has the molecular formula C5H10ClF2NO2 and a molecular weight of 189.59 g/mol. Its IUPAC name is 2-amino-4,4-difluoropentanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-4,4-difluoropentanoic acid;hydrochloride
PubChem CID87665395
Molecular FormulaC5H10ClF2NO2
Molecular Weight189.59 g/mol
Exact Mass189.04
IUPAC Name2-amino-4,4-difluoropentanoic acid;hydrochloride
SMILESCC(F)(F)CC(N)C(=O)O.Cl
InChIInChI=1S/C5H9F2NO2.ClH/c1-5(6,7)2-3(8)4(9)10;/h3H,2,8H2,1H3,(H,9,10);1H
InChIKeyAAHBHFNOWUKJKM-UHFFFAOYSA-N
XLogP0.87
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.59
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4,4-dimethylpentanoic acid;chloromethane
CID 175588190
(2S)-2,4-diamino-4-methylpentanoic acid
CID 54315966
(2S)-2-amino-5-fluoro-4,4-dimethylpentanoic acid
CID 129061039
(2R)-4,4-difluoro-2-methylpentanoic acid
CID 156789470
(2S)-2-amino-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoic acid
CID 129061051
(2S)-2-amino-4-fluorosulfanyl-4-methylpentanoic acid
CID 142291582
(2S)-2-amino-5,5,5-trideuterio-4,4-dimethylpentanoic acid
CID 162641870
2-amino-5,5-difluoroheptanoic acid;hydrochloride
CID 87211692
2-amino-4,4,6,6,8-pentamethylnonanoic acid
CID 145315535
(2S)-4,4-difluoro-2-isocyanopentanoic acid
CID 151819277
2-amino-4-(difluoromethyl)-4-methylheptanoic acid
CID 129061110
(4S)-2-amino-4-(difluoromethyl)-4-methylheptanoic acid
CID 167281606

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,4-difluoropentanoic acid;hydrochloride?
The IUPAC name of 2-amino-4,4-difluoropentanoic acid;hydrochloride (CID 87665395) is 2-amino-4,4-difluoropentanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-4,4-difluoropentanoic acid;hydrochloride?
The canonical SMILES for 2-amino-4,4-difluoropentanoic acid;hydrochloride is CC(F)(F)CC(N)C(=O)O.Cl.
What is the InChIKey of 2-amino-4,4-difluoropentanoic acid;hydrochloride?
The InChIKey is AAHBHFNOWUKJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2.ClH/c1-5(6,7)2-3(8)4(9)10;/h3H,2,8H2,1H3,(H,9,10);1H.
What are the key properties of 2-amino-4,4-difluoropentanoic acid;hydrochloride?
2-amino-4,4-difluoropentanoic acid;hydrochloride has a molecular weight of 189.59 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,4-difluoropentanoic acid;hydrochloride is sourced from PubChem (CID 87665395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).