3-bromo-2,3,3-trifluoropropan-1-amine

C3H5BrF3N — CID 107140622

IUPAC3-bromo-2,3,3-trifluoropropan-1-amine
SMILESNCC(F)C(F)(F)Br
InChIInChI=1S/C3H5BrF3N/c4-3(6,7)2(5)1-8/h2H,1,8H2
InChIKeyQHKVTBYBULSQTO-UHFFFAOYSA-N
MW191.98 g/mol
LogP1.27
Rot. Bonds2

About 3-bromo-2,3,3-trifluoropropan-1-amine

3-bromo-2,3,3-trifluoropropan-1-amine (PubChem CID 107140622) has the molecular formula C3H5BrF3N and a molecular weight of 191.98 g/mol. Its IUPAC name is 3-bromo-2,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name3-bromo-2,3,3-trifluoropropan-1-amine
PubChem CID107140622
Molecular FormulaC3H5BrF3N
Molecular Weight191.98 g/mol
Exact Mass190.96
IUPAC Name3-bromo-2,3,3-trifluoropropan-1-amine
SMILESNCC(F)C(F)(F)Br
InChIInChI=1S/C3H5BrF3N/c4-3(6,7)2(5)1-8/h2H,1,8H2
InChIKeyQHKVTBYBULSQTO-UHFFFAOYSA-N
XLogP1.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.98
LogP ≤ 51.27
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 3-bromo-2,3,3-trifluoropropan-1-amine?
The IUPAC name of 3-bromo-2,3,3-trifluoropropan-1-amine (CID 107140622) is 3-bromo-2,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 3-bromo-2,3,3-trifluoropropan-1-amine?
The canonical SMILES for 3-bromo-2,3,3-trifluoropropan-1-amine is NCC(F)C(F)(F)Br.
What is the InChIKey of 3-bromo-2,3,3-trifluoropropan-1-amine?
The InChIKey is QHKVTBYBULSQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BrF3N/c4-3(6,7)2(5)1-8/h2H,1,8H2.
What are the key properties of 3-bromo-2,3,3-trifluoropropan-1-amine?
3-bromo-2,3,3-trifluoropropan-1-amine has a molecular weight of 191.98 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 107140622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).