1-bromo-1,1-difluoropropan-2-amine;hydrochloride

C3H7BrClF2N — CID 87594720

IUPAC1-bromo-1,1-difluoropropan-2-amine;hydrochloride
SMILESCC(N)C(F)(F)Br.Cl
InChIInChI=1S/C3H6BrF2N.ClH/c1-2(7)3(4,5)6;/h2H,7H2,1H3;1H
InChIKeyBHQZEXIUVFBFRE-UHFFFAOYSA-N
MW210.45 g/mol
LogP1.74
Rot. Bonds1

About 1-bromo-1,1-difluoropropan-2-amine;hydrochloride

1-bromo-1,1-difluoropropan-2-amine;hydrochloride (PubChem CID 87594720) has the molecular formula C3H7BrClF2N and a molecular weight of 210.45 g/mol. Its IUPAC name is 1-bromo-1,1-difluoropropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-bromo-1,1-difluoropropan-2-amine;hydrochloride
PubChem CID87594720
Molecular FormulaC3H7BrClF2N
Molecular Weight210.45 g/mol
Exact Mass208.94
IUPAC Name1-bromo-1,1-difluoropropan-2-amine;hydrochloride
SMILESCC(N)C(F)(F)Br.Cl
InChIInChI=1S/C3H6BrF2N.ClH/c1-2(7)3(4,5)6;/h2H,7H2,1H3;1H
InChIKeyBHQZEXIUVFBFRE-UHFFFAOYSA-N
XLogP1.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.45
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-1,1-difluoropropan-2-amine;hydrochloride?
The IUPAC name of 1-bromo-1,1-difluoropropan-2-amine;hydrochloride (CID 87594720) is 1-bromo-1,1-difluoropropan-2-amine;hydrochloride.
What is the SMILES notation for 1-bromo-1,1-difluoropropan-2-amine;hydrochloride?
The canonical SMILES for 1-bromo-1,1-difluoropropan-2-amine;hydrochloride is CC(N)C(F)(F)Br.Cl.
What is the InChIKey of 1-bromo-1,1-difluoropropan-2-amine;hydrochloride?
The InChIKey is BHQZEXIUVFBFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6BrF2N.ClH/c1-2(7)3(4,5)6;/h2H,7H2,1H3;1H.
What are the key properties of 1-bromo-1,1-difluoropropan-2-amine;hydrochloride?
1-bromo-1,1-difluoropropan-2-amine;hydrochloride has a molecular weight of 210.45 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1,1-difluoropropan-2-amine;hydrochloride is sourced from PubChem (CID 87594720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).