(2S)-2-amino-3,3-difluoropropan-1-ol;hydrochloride

C3H8ClF2NO — CID 127264163

IUPAC(2S)-2-amino-3,3-difluoropropan-1-ol;hydrochloride
SMILESCl.N[C@@H](CO)C(F)F
InChIInChI=1S/C3H7F2NO.ClH/c4-3(5)2(6)1-7;/h2-3,7H,1,6H2;1H/t2-;/m0./s1
InChIKeyHQSKPMOOHUYKAI-DKWTVANSSA-N
MW147.55 g/mol
LogP-0.01
Rot. Bonds2

About (2S)-2-amino-3,3-difluoropropan-1-ol;hydrochloride

(2S)-2-amino-3,3-difluoropropan-1-ol;hydrochloride (PubChem CID 127264163) has the molecular formula C3H8ClF2NO and a molecular weight of 147.55 g/mol. Its IUPAC name is (2S)-2-amino-3,3-difluoropropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3,3-difluoropropan-1-ol;hydrochloride
PubChem CID127264163
Molecular FormulaC3H8ClF2NO
Molecular Weight147.55 g/mol
Exact Mass147.03
IUPAC Name(2S)-2-amino-3,3-difluoropropan-1-ol;hydrochloride
SMILESCl.N[C@@H](CO)C(F)F
InChIInChI=1S/C3H7F2NO.ClH/c4-3(5)2(6)1-7;/h2-3,7H,1,6H2;1H/t2-;/m0./s1
InChIKeyHQSKPMOOHUYKAI-DKWTVANSSA-N
XLogP-0.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.55
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-4-fluorobutan-1-ol
CID 53878963
2-Aminopropanol hydrochloride
CID 110798
3-Amino-1,1,1-trifluorobutan-2-ol hydrochloride
CID 14503245
3-Amino-4,4,4-trifluorobutan-1-ol
CID 45358255
(2R)-2-amino-3,3,3-trifluoropropan-1-ol hydrochloride
CID 49793512
2-Amino-3,3,3-trifluoro-1-propanol hydrochloride
CID 53416421
2-Amino-4,4,4-trifluorobutan-1-ol hydrochloride
CID 53416432
2-Amino-3-fluoropropan-1-ol hydrochloride
CID 71755535
(2S)-2-amino-3,3,3-trifluoropropan-1-ol hydrochloride
CID 72214703
3-Amino-4,4,4-trifluorobutan-1-ol hydrochloride
CID 73018179
3-Amino-1,1-difluoropropan-2-ol hydrochloride
CID 75525849
(2S)-2-amino-4,4,4-trifluorobutan-1-ol
CID 86669707

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-difluoropropan-1-ol;hydrochloride?
The IUPAC name of (2S)-2-amino-3,3-difluoropropan-1-ol;hydrochloride (CID 127264163) is (2S)-2-amino-3,3-difluoropropan-1-ol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3,3-difluoropropan-1-ol;hydrochloride?
The canonical SMILES for (2S)-2-amino-3,3-difluoropropan-1-ol;hydrochloride is Cl.N[C@@H](CO)C(F)F.
What is the InChIKey of (2S)-2-amino-3,3-difluoropropan-1-ol;hydrochloride?
The InChIKey is HQSKPMOOHUYKAI-DKWTVANSSA-N. The full InChI is InChI=1S/C3H7F2NO.ClH/c4-3(5)2(6)1-7;/h2-3,7H,1,6H2;1H/t2-;/m0./s1.
What are the key properties of (2S)-2-amino-3,3-difluoropropan-1-ol;hydrochloride?
(2S)-2-amino-3,3-difluoropropan-1-ol;hydrochloride has a molecular weight of 147.55 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-difluoropropan-1-ol;hydrochloride is sourced from PubChem (CID 127264163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).