1-bromo-1,1-difluoropropan-2-amine

C3H6BrF2N — CID 87594721

IUPAC1-bromo-1,1-difluoropropan-2-amine
SMILESCC(N)C(F)(F)Br
InChIInChI=1S/C3H6BrF2N/c1-2(7)3(4,5)6/h2H,7H2,1H3
InChIKeyMAUISDKAPVBKBA-UHFFFAOYSA-N
MW173.99 g/mol
LogP1.32
Rot. Bonds1

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

1-bromo-1,1-difluoropropan-2-amine (PubChem CID 87594721) has the molecular formula C3H6BrF2N and a molecular weight of 173.99 g/mol. Its IUPAC name is 1-bromo-1,1-difluoropropan-2-amine.

Molecular Properties

Compound Name1-bromo-1,1-difluoropropan-2-amine
PubChem CID87594721
Molecular FormulaC3H6BrF2N
Molecular Weight173.99 g/mol
Exact Mass172.97
IUPAC Name1-bromo-1,1-difluoropropan-2-amine
SMILESCC(N)C(F)(F)Br
InChIInChI=1S/C3H6BrF2N/c1-2(7)3(4,5)6/h2H,7H2,1H3
InChIKeyMAUISDKAPVBKBA-UHFFFAOYSA-N
XLogP1.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.99
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Bromo-3,3-difluoropropan-1-amine
CID 2736296
1-Bromo-1,1-difluoropropan-2-amine;hydrochloride
CID 87594720
1-Bromo-1,1,3,3,3-pentafluoropropan-2-amine
CID 88194738
1-Bromo-2,2-difluoropropan-1-amine
CID 141090953
(3-Bromo-3,3-difluoropropyl)azanium
CID 7019589
3-Bromo-2,3,3-trifluoropropan-1-amine
CID 107140622
3-Bromo-1,1,1-trifluoropropan-2-amine
CID 129924042
4-Bromo-3,4,4-trifluoro-3-methylbutan-2-amine
CID 133676938
3-Bromo-3,3-Difluoro-1-Propanaminium Chloride
CID 2736295
3-Bromo-3,3-difluoropropylamine hydrochloride
CID 44717254

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1,1-difluoropropan-2-amine?
The IUPAC name of 1-bromo-1,1-difluoropropan-2-amine (CID 87594721) is 1-bromo-1,1-difluoropropan-2-amine.
What is the SMILES notation for 1-bromo-1,1-difluoropropan-2-amine?
The canonical SMILES for 1-bromo-1,1-difluoropropan-2-amine is CC(N)C(F)(F)Br.
What is the InChIKey of 1-bromo-1,1-difluoropropan-2-amine?
The InChIKey is MAUISDKAPVBKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6BrF2N/c1-2(7)3(4,5)6/h2H,7H2,1H3.
What are the key properties of 1-bromo-1,1-difluoropropan-2-amine?
1-bromo-1,1-difluoropropan-2-amine has a molecular weight of 173.99 g/mol, XLogP of 1.32, 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 is sourced from PubChem (CID 87594721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).