(2S)-1-(difluoromethoxy)propan-2-amine;hydrochloride

C4H10ClF2NO — CID 122446099

IUPAC(2S)-1-(difluoromethoxy)propan-2-amine;hydrochloride
SMILESC[C@H](N)COC(F)F.Cl
InChIInChI=1S/C4H9F2NO.ClH/c1-3(7)2-8-4(5)6;/h3-4H,2,7H2,1H3;1H/t3-;/m0./s1
InChIKeyLSKKLZIHLZEGKM-DFWYDOINSA-N
MW161.58 g/mol
LogP0.99
Rot. Bonds3

About (2S)-1-(difluoromethoxy)propan-2-amine;hydrochloride

(2S)-1-(difluoromethoxy)propan-2-amine;hydrochloride (PubChem CID 122446099) has the molecular formula C4H10ClF2NO and a molecular weight of 161.58 g/mol. Its IUPAC name is (2S)-1-(difluoromethoxy)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-1-(difluoromethoxy)propan-2-amine;hydrochloride
PubChem CID122446099
Molecular FormulaC4H10ClF2NO
Molecular Weight161.58 g/mol
Exact Mass161.04
IUPAC Name(2S)-1-(difluoromethoxy)propan-2-amine;hydrochloride
SMILESC[C@H](N)COC(F)F.Cl
InChIInChI=1S/C4H9F2NO.ClH/c1-3(7)2-8-4(5)6;/h3-4H,2,7H2,1H3;1H/t3-;/m0./s1
InChIKeyLSKKLZIHLZEGKM-DFWYDOINSA-N
XLogP0.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.58
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(difluoromethoxy)propan-2-amine;hydrochloride?
The IUPAC name of (2S)-1-(difluoromethoxy)propan-2-amine;hydrochloride (CID 122446099) is (2S)-1-(difluoromethoxy)propan-2-amine;hydrochloride.
What is the SMILES notation for (2S)-1-(difluoromethoxy)propan-2-amine;hydrochloride?
The canonical SMILES for (2S)-1-(difluoromethoxy)propan-2-amine;hydrochloride is C[C@H](N)COC(F)F.Cl.
What is the InChIKey of (2S)-1-(difluoromethoxy)propan-2-amine;hydrochloride?
The InChIKey is LSKKLZIHLZEGKM-DFWYDOINSA-N. The full InChI is InChI=1S/C4H9F2NO.ClH/c1-3(7)2-8-4(5)6;/h3-4H,2,7H2,1H3;1H/t3-;/m0./s1.
What are the key properties of (2S)-1-(difluoromethoxy)propan-2-amine;hydrochloride?
(2S)-1-(difluoromethoxy)propan-2-amine;hydrochloride has a molecular weight of 161.58 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(difluoromethoxy)propan-2-amine;hydrochloride is sourced from PubChem (CID 122446099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).