1,1-dideuterio-2,2-difluoro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine

C9H9F5N2 — CID 175089211

IUPAC1,1-dideuterio-2,2-difluoro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
SMILES[2H]C([2H])(NCc1ccc(C(F)(F)F)nc1)C(F)F
InChIInChI=1S/C9H9F5N2/c10-8(11)5-15-3-6-1-2-7(16-4-6)9(12,13)14/h1-2,4,8,15H,3,5H2/i5D2
InChIKeyOZLDWYKFYRJGRB-BFWBPSQCSA-N
MW242.19 g/mol
LogP2.46
Rot. Bonds4

About 1,1-dideuterio-2,2-difluoro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine

1,1-dideuterio-2,2-difluoro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine (PubChem CID 175089211) has the molecular formula C9H9F5N2 and a molecular weight of 242.19 g/mol. Its IUPAC name is 1,1-dideuterio-2,2-difluoro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Name1,1-dideuterio-2,2-difluoro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
PubChem CID175089211
Molecular FormulaC9H9F5N2
Molecular Weight242.19 g/mol
Exact Mass242.08
IUPAC Name1,1-dideuterio-2,2-difluoro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
SMILES[2H]C([2H])(NCc1ccc(C(F)(F)F)nc1)C(F)F
InChIInChI=1S/C9H9F5N2/c10-8(11)5-15-3-6-1-2-7(16-4-6)9(12,13)14/h1-2,4,8,15H,3,5H2/i5D2
InChIKeyOZLDWYKFYRJGRB-BFWBPSQCSA-N
XLogP2.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(trifluoromethyl)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]methanamine
CID 169111944
5-(fluoromethyl)-2-(trifluoromethyl)pyridine
CID 177038549
2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidine-5-carbaldehyde
CID 58259308
1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclobutane-1-carboxylic acid
CID 166288554
5-propyl-2-(trifluoromethyl)pyridine
CID 23544356
5-(2-bromopropyl)-2-(trifluoromethyl)pyridine
CID 68969258
2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-1,3-thiazole-5-carbaldehyde
CID 88947185
[6-(trifluoromethyl)-3-pyridinyl]methylsulfanylmethanediamine
CID 162587407
N-methyl-N'-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanecarbohydrazide
CID 171823618
5-(3-iodopropyl)-2-(trifluoromethyl)pyridine
CID 54758386
2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 51695709
(2R)-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 122703513

Frequently Asked Questions

What is the IUPAC name of 1,1-dideuterio-2,2-difluoro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of 1,1-dideuterio-2,2-difluoro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine (CID 175089211) is 1,1-dideuterio-2,2-difluoro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for 1,1-dideuterio-2,2-difluoro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for 1,1-dideuterio-2,2-difluoro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine is [2H]C([2H])(NCc1ccc(C(F)(F)F)nc1)C(F)F.
What is the InChIKey of 1,1-dideuterio-2,2-difluoro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is OZLDWYKFYRJGRB-BFWBPSQCSA-N. The full InChI is InChI=1S/C9H9F5N2/c10-8(11)5-15-3-6-1-2-7(16-4-6)9(12,13)14/h1-2,4,8,15H,3,5H2/i5D2.
What are the key properties of 1,1-dideuterio-2,2-difluoro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine?
1,1-dideuterio-2,2-difluoro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 242.19 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dideuterio-2,2-difluoro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 175089211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).