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

C4H10ClF2NO — CID 138112561

IUPAC1-(difluoromethoxy)propan-2-amine;hydrochloride
SMILESCC(N)COC(F)F.Cl
InChIInChI=1S/C4H9F2NO.ClH/c1-3(7)2-8-4(5)6;/h3-4H,2,7H2,1H3;1H
InChIKeyLSKKLZIHLZEGKM-UHFFFAOYSA-N
MW161.58 g/mol
LogP0.99
Rot. Bonds3

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

1-(difluoromethoxy)propan-2-amine;hydrochloride (PubChem CID 138112561) has the molecular formula C4H10ClF2NO and a molecular weight of 161.58 g/mol. Its IUPAC name is 1-(difluoromethoxy)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(difluoromethoxy)propan-2-amine;hydrochloride
PubChem CID138112561
Molecular FormulaC4H10ClF2NO
Molecular Weight161.58 g/mol
Exact Mass161.04
IUPAC Name1-(difluoromethoxy)propan-2-amine;hydrochloride
SMILESCC(N)COC(F)F.Cl
InChIInChI=1S/C4H9F2NO.ClH/c1-3(7)2-8-4(5)6;/h3-4H,2,7H2,1H3;1H
InChIKeyLSKKLZIHLZEGKM-UHFFFAOYSA-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 1-(difluoromethoxy)propan-2-amine;hydrochloride?
The IUPAC name of 1-(difluoromethoxy)propan-2-amine;hydrochloride (CID 138112561) is 1-(difluoromethoxy)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(difluoromethoxy)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(difluoromethoxy)propan-2-amine;hydrochloride is CC(N)COC(F)F.Cl.
What is the InChIKey of 1-(difluoromethoxy)propan-2-amine;hydrochloride?
The InChIKey is LSKKLZIHLZEGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO.ClH/c1-3(7)2-8-4(5)6;/h3-4H,2,7H2,1H3;1H.
What are the key properties of 1-(difluoromethoxy)propan-2-amine;hydrochloride?
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 1-(difluoromethoxy)propan-2-amine;hydrochloride is sourced from PubChem (CID 138112561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).