N-ethyl-4,4,4-trifluoro-1-pyridin-4-yl-3-(trifluoromethyl)butan-2-amine

C12H14F6N2 — CID 103312085

IUPACN-ethyl-4,4,4-trifluoro-1-pyridin-4-yl-3-(trifluoromethyl)butan-2-amine
SMILESCCNC(Cc1ccncc1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H14F6N2/c1-2-20-9(7-8-3-5-19-6-4-8)10(11(13,14)15)12(16,17)18/h3-6,9-10,20H,2,7H2,1H3
InChIKeyYYVMXZKUDJRDEU-UHFFFAOYSA-N
MW300.25 g/mol
LogP3.34
Rot. Bonds5

About N-ethyl-4,4,4-trifluoro-1-pyridin-4-yl-3-(trifluoromethyl)butan-2-amine

N-ethyl-4,4,4-trifluoro-1-pyridin-4-yl-3-(trifluoromethyl)butan-2-amine (PubChem CID 103312085) has the molecular formula C12H14F6N2 and a molecular weight of 300.25 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-pyridin-4-yl-3-(trifluoromethyl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-pyridin-4-yl-3-(trifluoromethyl)butan-2-amine
PubChem CID103312085
Molecular FormulaC12H14F6N2
Molecular Weight300.25 g/mol
Exact Mass300.11
IUPAC NameN-ethyl-4,4,4-trifluoro-1-pyridin-4-yl-3-(trifluoromethyl)butan-2-amine
SMILESCCNC(Cc1ccncc1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H14F6N2/c1-2-20-9(7-8-3-5-19-6-4-8)10(11(13,14)15)12(16,17)18/h3-6,9-10,20H,2,7H2,1H3
InChIKeyYYVMXZKUDJRDEU-UHFFFAOYSA-N
XLogP3.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butan-2-amine
CID 103311673
N-ethyl-3-methyl-1-pyridin-4-ylheptan-2-amine
CID 114246475
N-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 103516579
1-(5-bromo-2-pyridinyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312276
1-(2-chlorophenyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103311717
N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-amine
CID 103311641
N-ethyl-4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312071
1,1,1-trifluoro-N-propan-2-yl-3-pyridin-4-ylpropan-2-amine
CID 115705515
(2S)-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-ol
CID 96823406
N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312096
3-ethoxy-N,3-diethyl-1-pyridin-4-ylpentan-2-amine
CID 116760085
1-cyclopropyl-N-ethyl-2-pyridin-4-ylethanamine
CID 63355352

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-1-pyridin-4-yl-3-(trifluoromethyl)butan-2-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-pyridin-4-yl-3-(trifluoromethyl)butan-2-amine (CID 103312085) is N-ethyl-4,4,4-trifluoro-1-pyridin-4-yl-3-(trifluoromethyl)butan-2-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-pyridin-4-yl-3-(trifluoromethyl)butan-2-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-pyridin-4-yl-3-(trifluoromethyl)butan-2-amine is CCNC(Cc1ccncc1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-pyridin-4-yl-3-(trifluoromethyl)butan-2-amine?
The InChIKey is YYVMXZKUDJRDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F6N2/c1-2-20-9(7-8-3-5-19-6-4-8)10(11(13,14)15)12(16,17)18/h3-6,9-10,20H,2,7H2,1H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-pyridin-4-yl-3-(trifluoromethyl)butan-2-amine?
N-ethyl-4,4,4-trifluoro-1-pyridin-4-yl-3-(trifluoromethyl)butan-2-amine has a molecular weight of 300.25 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-1-pyridin-4-yl-3-(trifluoromethyl)butan-2-amine is sourced from PubChem (CID 103312085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).