4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine

C10H10F6N2 — CID 105156496

IUPAC4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
SMILESNC(CCC(F)(F)F)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H10F6N2/c11-9(12,13)4-3-7(17)8-2-1-6(5-18-8)10(14,15)16/h1-2,5,7H,3-4,17H2
InChIKeyLJXVCDAFNLVYFC-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.44
Rot. Bonds3

About 4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine

4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine (PubChem CID 105156496) has the molecular formula C10H10F6N2 and a molecular weight of 272.19 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
PubChem CID105156496
Molecular FormulaC10H10F6N2
Molecular Weight272.19 g/mol
Exact Mass272.07
IUPAC Name4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
SMILESNC(CCC(F)(F)F)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H10F6N2/c11-9(12,13)4-3-7(17)8-2-1-6(5-18-8)10(14,15)16/h1-2,5,7H,3-4,17H2
InChIKeyLJXVCDAFNLVYFC-UHFFFAOYSA-N
XLogP3.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(trifluoromethyl)-2-pyridinyl]decan-1-amine
CID 105124478
1-[5-(trifluoromethyl)-2-pyridinyl]octan-1-amine
CID 105125097
4-methylsulfonyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105113529
3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pentan-1-amine
CID 105176912
2-cyclopropyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 112693374
4,4,4-trifluoro-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105156292
2-(2,6-dimethylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105174687
2-(1,3-thiazol-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105169295
2-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 130094479
bis[5-(trifluoromethyl)-2-pyridinyl]methanol
CID 170433737
2-(2,3-dichlorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 107312168
2-(1-ethylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105115043

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine (CID 105156496) is 4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine is NC(CCC(F)(F)F)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine?
The InChIKey is LJXVCDAFNLVYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6N2/c11-9(12,13)4-3-7(17)8-2-1-6(5-18-8)10(14,15)16/h1-2,5,7H,3-4,17H2.
What are the key properties of 4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine?
4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine has a molecular weight of 272.19 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine is sourced from PubChem (CID 105156496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).