1-(5-bromo-2-pyridinyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine

C12H13BrF6N2 — CID 103312276

IUPAC1-(5-bromo-2-pyridinyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
SMILESCCNC(Cc1ccc(Br)cn1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H13BrF6N2/c1-2-20-9(5-8-4-3-7(13)6-21-8)10(11(14,15)16)12(17,18)19/h3-4,6,9-10,20H,2,5H2,1H3
InChIKeyUFWUHRZQRDIJIN-UHFFFAOYSA-N
MW379.14 g/mol
LogP4.11
Rot. Bonds5

About 1-(5-bromo-2-pyridinyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine

1-(5-bromo-2-pyridinyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine (PubChem CID 103312276) has the molecular formula C12H13BrF6N2 and a molecular weight of 379.14 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
PubChem CID103312276
Molecular FormulaC12H13BrF6N2
Molecular Weight379.14 g/mol
Exact Mass378.02
IUPAC Name1-(5-bromo-2-pyridinyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
SMILESCCNC(Cc1ccc(Br)cn1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H13BrF6N2/c1-2-20-9(5-8-4-3-7(13)6-21-8)10(11(14,15)16)12(17,18)19/h3-4,6,9-10,20H,2,5H2,1H3
InChIKeyUFWUHRZQRDIJIN-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.14
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-2-pyridinyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine with MolForge

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Related Compounds

1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine
CID 105036427
1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 116721571
3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 105036466
(2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800606
[1-(5-bromo-2-pyridinyl)-3-methylbutan-2-yl]hydrazine
CID 105199530
1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethylpropan-2-amine
CID 104802677
6-(5-bromo-2-pyridinyl)-N-ethyl-2-methylhexan-3-amine
CID 104812013
1-(5-bromo-2-pyridinyl)-N-ethyl-3-methyl-3-phenylbutan-2-amine
CID 104801951
N-ethyl-4,4,4-trifluoro-1-pyridin-4-yl-3-(trifluoromethyl)butan-2-amine
CID 103312085
1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 104801767
1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
CID 105036487
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine
CID 104803642

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine (CID 103312276) is 1-(5-bromo-2-pyridinyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine is CCNC(Cc1ccc(Br)cn1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine?
The InChIKey is UFWUHRZQRDIJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF6N2/c1-2-20-9(5-8-4-3-7(13)6-21-8)10(11(14,15)16)12(17,18)19/h3-4,6,9-10,20H,2,5H2,1H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine?
1-(5-bromo-2-pyridinyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine has a molecular weight of 379.14 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine is sourced from PubChem (CID 103312276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).