(2S)-1-fluoropropan-2-amine;hydrochloride

C3H9ClFN — CID 11851333

IUPAC(2S)-1-fluoropropan-2-amine;hydrochloride
SMILESC[C@H](N)CF.Cl
InChIInChI=1S/C3H8FN.ClH/c1-3(5)2-4;/h3H,2,5H2,1H3;1H/t3-;/m0./s1
InChIKeyFHXAJBGANRCCBG-DFWYDOINSA-N
MW113.56 g/mol
LogP0.72
Rot. Bonds1

About (2S)-1-fluoropropan-2-amine;hydrochloride

(2S)-1-fluoropropan-2-amine;hydrochloride (PubChem CID 11851333) has the molecular formula C3H9ClFN and a molecular weight of 113.56 g/mol. Its IUPAC name is (2S)-1-fluoropropan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-1-fluoropropan-2-amine;hydrochloride
PubChem CID11851333
Molecular FormulaC3H9ClFN
Molecular Weight113.56 g/mol
Exact Mass113.04
IUPAC Name(2S)-1-fluoropropan-2-amine;hydrochloride
SMILESC[C@H](N)CF.Cl
InChIInChI=1S/C3H8FN.ClH/c1-3(5)2-4;/h3H,2,5H2,1H3;1H/t3-;/m0./s1
InChIKeyFHXAJBGANRCCBG-DFWYDOINSA-N
XLogP0.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.56
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-fluoropropan-2-amine;hydrochloride?
The IUPAC name of (2S)-1-fluoropropan-2-amine;hydrochloride (CID 11851333) is (2S)-1-fluoropropan-2-amine;hydrochloride.
What is the SMILES notation for (2S)-1-fluoropropan-2-amine;hydrochloride?
The canonical SMILES for (2S)-1-fluoropropan-2-amine;hydrochloride is C[C@H](N)CF.Cl.
What is the InChIKey of (2S)-1-fluoropropan-2-amine;hydrochloride?
The InChIKey is FHXAJBGANRCCBG-DFWYDOINSA-N. The full InChI is InChI=1S/C3H8FN.ClH/c1-3(5)2-4;/h3H,2,5H2,1H3;1H/t3-;/m0./s1.
What are the key properties of (2S)-1-fluoropropan-2-amine;hydrochloride?
(2S)-1-fluoropropan-2-amine;hydrochloride has a molecular weight of 113.56 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-fluoropropan-2-amine;hydrochloride is sourced from PubChem (CID 11851333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).