(2S)-1,1-difluoropentan-2-amine;hydrochloride

C5H12ClF2N — CID 146049462

IUPAC(2S)-1,1-difluoropentan-2-amine;hydrochloride
SMILESCCC[C@H](N)C(F)F.Cl
InChIInChI=1S/C5H11F2N.ClH/c1-2-3-4(8)5(6)7;/h4-5H,2-3,8H2,1H3;1H/t4-;/m0./s1
InChIKeyXVLSEJAYYHXEKQ-WCCKRBBISA-N
MW159.61 g/mol
LogP1.80
Rot. Bonds3

About (2S)-1,1-difluoropentan-2-amine;hydrochloride

(2S)-1,1-difluoropentan-2-amine;hydrochloride (PubChem CID 146049462) has the molecular formula C5H12ClF2N and a molecular weight of 159.61 g/mol. Its IUPAC name is (2S)-1,1-difluoropentan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-1,1-difluoropentan-2-amine;hydrochloride
PubChem CID146049462
Molecular FormulaC5H12ClF2N
Molecular Weight159.61 g/mol
Exact Mass159.06
IUPAC Name(2S)-1,1-difluoropentan-2-amine;hydrochloride
SMILESCCC[C@H](N)C(F)F.Cl
InChIInChI=1S/C5H11F2N.ClH/c1-2-3-4(8)5(6)7;/h4-5H,2-3,8H2,1H3;1H/t4-;/m0./s1
InChIKeyXVLSEJAYYHXEKQ-WCCKRBBISA-N
XLogP1.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.61
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1-difluoropentan-2-amine;hydrochloride?
The IUPAC name of (2S)-1,1-difluoropentan-2-amine;hydrochloride (CID 146049462) is (2S)-1,1-difluoropentan-2-amine;hydrochloride.
What is the SMILES notation for (2S)-1,1-difluoropentan-2-amine;hydrochloride?
The canonical SMILES for (2S)-1,1-difluoropentan-2-amine;hydrochloride is CCC[C@H](N)C(F)F.Cl.
What is the InChIKey of (2S)-1,1-difluoropentan-2-amine;hydrochloride?
The InChIKey is XVLSEJAYYHXEKQ-WCCKRBBISA-N. The full InChI is InChI=1S/C5H11F2N.ClH/c1-2-3-4(8)5(6)7;/h4-5H,2-3,8H2,1H3;1H/t4-;/m0./s1.
What are the key properties of (2S)-1,1-difluoropentan-2-amine;hydrochloride?
(2S)-1,1-difluoropentan-2-amine;hydrochloride has a molecular weight of 159.61 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1-difluoropentan-2-amine;hydrochloride is sourced from PubChem (CID 146049462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).