4,4,4-trifluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]butan-2-amine

C11H14F4N2 — CID 104860347

IUPAC4,4,4-trifluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]butan-2-amine
SMILESCC(CC(F)(F)F)NC(C)c1ccc(F)cn1
InChIInChI=1S/C11H14F4N2/c1-7(5-11(13,14)15)17-8(2)10-4-3-9(12)6-16-10/h3-4,6-8,17H,5H2,1-2H3
InChIKeyUHGGZFJVBYFUNO-UHFFFAOYSA-N
MW250.24 g/mol
LogP3.21
Rot. Bonds4

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

4,4,4-trifluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]butan-2-amine (PubChem CID 104860347) has the molecular formula C11H14F4N2 and a molecular weight of 250.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]butan-2-amine
PubChem CID104860347
Molecular FormulaC11H14F4N2
Molecular Weight250.24 g/mol
Exact Mass250.11
IUPAC Name4,4,4-trifluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]butan-2-amine
SMILESCC(CC(F)(F)F)NC(C)c1ccc(F)cn1
InChIInChI=1S/C11H14F4N2/c1-7(5-11(13,14)15)17-8(2)10-4-3-9(12)6-16-10/h3-4,6-8,17H,5H2,1-2H3
InChIKeyUHGGZFJVBYFUNO-UHFFFAOYSA-N
XLogP3.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4,4-trifluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 103895006
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115886385
2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 83119730
1-cyclopropyl-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine
CID 83119407
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 83119379
N-[1-(2,4-difluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine
CID 103775814
1-cyclopropyl-N-[1-(5-fluoro-2-pyridinyl)ethyl]ethanamine
CID 83117431
1-(3-chlorophenyl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine
CID 83118328
2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 104860557
1-(5-fluoro-2-pyridinyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106281911
2,2-difluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]ethanamine
CID 83119275
2-[1-(5-fluoro-2-pyridinyl)ethylamino]-3-phenylpropan-1-ol
CID 83119110

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]butan-2-amine (CID 104860347) is 4,4,4-trifluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]butan-2-amine is CC(CC(F)(F)F)NC(C)c1ccc(F)cn1.
What is the InChIKey of 4,4,4-trifluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]butan-2-amine?
The InChIKey is UHGGZFJVBYFUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4N2/c1-7(5-11(13,14)15)17-8(2)10-4-3-9(12)6-16-10/h3-4,6-8,17H,5H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]butan-2-amine?
4,4,4-trifluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]butan-2-amine has a molecular weight of 250.24 g/mol, XLogP of 3.21, 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-[1-(5-fluoro-2-pyridinyl)ethyl]butan-2-amine is sourced from PubChem (CID 104860347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).