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

C11H12F6N2 — CID 105156292

IUPAC4,4,4-trifluoro-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
SMILESCNC(CCC(F)(F)F)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H12F6N2/c1-18-8(4-5-10(12,13)14)9-3-2-7(6-19-9)11(15,16)17/h2-3,6,8,18H,4-5H2,1H3
InChIKeySEQUUOFWQIIDER-UHFFFAOYSA-N
MW286.22 g/mol
LogP3.70
Rot. Bonds4

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

4,4,4-trifluoro-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine (PubChem CID 105156292) has the molecular formula C11H12F6N2 and a molecular weight of 286.22 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
PubChem CID105156292
Molecular FormulaC11H12F6N2
Molecular Weight286.22 g/mol
Exact Mass286.09
IUPAC Name4,4,4-trifluoro-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
SMILESCNC(CCC(F)(F)F)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H12F6N2/c1-18-8(4-5-10(12,13)14)9-3-2-7(6-19-9)11(15,16)17/h2-3,6,8,18H,4-5H2,1H3
InChIKeySEQUUOFWQIIDER-UHFFFAOYSA-N
XLogP3.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-methylsulfonyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105112912
4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105156496
2-(furan-2-yl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105177292
N-methyl-2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105134087
2-(3-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105085844
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105167841
1-[5-(trifluoromethyl)-2-pyridinyl]nonylhydrazine
CID 105294404
1-cyclopropyl-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105157141
N-ethyl-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-amine
CID 105182656
1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-ynylhydrazine
CID 105307862
2-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 130094479
1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-enylhydrazine
CID 105311544

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine (CID 105156292) is 4,4,4-trifluoro-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine is CNC(CCC(F)(F)F)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine?
The InChIKey is SEQUUOFWQIIDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F6N2/c1-18-8(4-5-10(12,13)14)9-3-2-7(6-19-9)11(15,16)17/h2-3,6,8,18H,4-5H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine?
4,4,4-trifluoro-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine has a molecular weight of 286.22 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine is sourced from PubChem (CID 105156292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).