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

C10H11BrF3N — CID 14965865

IUPACN-benzyl-3-bromo-1,1,1-trifluoropropan-2-amine
SMILESFC(F)(F)C(CBr)NCc1ccccc1
InChIInChI=1S/C10H11BrF3N/c11-6-9(10(12,13)14)15-7-8-4-2-1-3-5-8/h1-5,9,15H,6-7H2
InChIKeyAMGNNIOGTIQNNE-UHFFFAOYSA-N
MW282.10 g/mol
LogP3.10
Rot. Bonds4

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

N-benzyl-3-bromo-1,1,1-trifluoropropan-2-amine (PubChem CID 14965865) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is N-benzyl-3-bromo-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound NameN-benzyl-3-bromo-1,1,1-trifluoropropan-2-amine
PubChem CID14965865
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC NameN-benzyl-3-bromo-1,1,1-trifluoropropan-2-amine
SMILESFC(F)(F)C(CBr)NCc1ccccc1
InChIInChI=1S/C10H11BrF3N/c11-6-9(10(12,13)14)15-7-8-4-2-1-3-5-8/h1-5,9,15H,6-7H2
InChIKeyAMGNNIOGTIQNNE-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 53.10
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

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CID 121221476
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N-benzyl-3,3-difluorobutan-2-amine
CID 130723597
N-benzyl-1-cyclopropyl-2,2,2-trifluoroethanamine
CID 121208219
(2R,3R)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol
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(2R,3S)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol
CID 15364761
2-(benzylamino)-3,3-dimethylbutan-1-ol
CID 54563298
(2R,3R)-3-(benzylamino)-1,1,1-trifluoro-5-phenylpentan-2-ol
CID 10591998
3-(benzylamino)-4,4-dimethylpentan-1-ol
CID 103949930
(2R)-2-N-benzyl-3,3,3-trifluoro-1-N-(3-nitro-2-pyridinyl)propane-1,2-diamine
CID 124743986
(2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol
CID 1477381
(1S)-N-benzyl-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 97184376

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-bromo-1,1,1-trifluoropropan-2-amine?
The IUPAC name of N-benzyl-3-bromo-1,1,1-trifluoropropan-2-amine (CID 14965865) is N-benzyl-3-bromo-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for N-benzyl-3-bromo-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for N-benzyl-3-bromo-1,1,1-trifluoropropan-2-amine is FC(F)(F)C(CBr)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-bromo-1,1,1-trifluoropropan-2-amine?
The InChIKey is AMGNNIOGTIQNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c11-6-9(10(12,13)14)15-7-8-4-2-1-3-5-8/h1-5,9,15H,6-7H2.
What are the key properties of N-benzyl-3-bromo-1,1,1-trifluoropropan-2-amine?
N-benzyl-3-bromo-1,1,1-trifluoropropan-2-amine has a molecular weight of 282.10 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-bromo-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 14965865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).