1-bromo-N-(2,2,2-trifluoroethyl)propan-2-amine

C5H9BrF3N — CID 107859563

IUPAC1-bromo-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(CBr)NCC(F)(F)F
InChIInChI=1S/C5H9BrF3N/c1-4(2-6)10-3-5(7,8)9/h4,10H,2-3H2,1H3
InChIKeyHQUZPMJNPUSYDE-UHFFFAOYSA-N
MW220.03 g/mol
LogP1.92
Rot. Bonds3

About 1-bromo-N-(2,2,2-trifluoroethyl)propan-2-amine

1-bromo-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 107859563) has the molecular formula C5H9BrF3N and a molecular weight of 220.03 g/mol. Its IUPAC name is 1-bromo-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound Name1-bromo-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID107859563
Molecular FormulaC5H9BrF3N
Molecular Weight220.03 g/mol
Exact Mass218.99
IUPAC Name1-bromo-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(CBr)NCC(F)(F)F
InChIInChI=1S/C5H9BrF3N/c1-4(2-6)10-3-5(7,8)9/h4,10H,2-3H2,1H3
InChIKeyHQUZPMJNPUSYDE-UHFFFAOYSA-N
XLogP1.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.03
LogP ≤ 51.92
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

N-(1-bromopropan-2-yl)-4,4,4-trifluorobutan-1-amine
CID 107859586
4-chloro-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 83186900
(2S)-1-methoxy-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 28571144
N-(2,2,2-trifluoroethyl)nonan-2-amine
CID 43129666
2,2-dimethyl-N-(4,4,4-trifluorobutan-2-yl)propan-1-amine
CID 103779068
(2R,3R)-3-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
CID 28608773
N-(2,2,2-trifluoroethyl)pentan-3-amine
CID 24704116
3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 65379067
1-(3-bromo-2-fluorophenyl)-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 174234166
N-[1-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 172883235
4-methyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61045848
1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 79549593

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of 1-bromo-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 107859563) is 1-bromo-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for 1-bromo-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for 1-bromo-N-(2,2,2-trifluoroethyl)propan-2-amine is CC(CBr)NCC(F)(F)F.
What is the InChIKey of 1-bromo-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is HQUZPMJNPUSYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrF3N/c1-4(2-6)10-3-5(7,8)9/h4,10H,2-3H2,1H3.
What are the key properties of 1-bromo-N-(2,2,2-trifluoroethyl)propan-2-amine?
1-bromo-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 220.03 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 107859563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).