4-N-[1-(furan-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine

C12H12F3N3O — CID 106747303

IUPAC4-N-[1-(furan-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCC(Nc1cc(C(F)(F)F)ncc1N)c1ccco1
InChIInChI=1S/C12H12F3N3O/c1-7(10-3-2-4-19-10)18-9-5-11(12(13,14)15)17-6-8(9)16/h2-7H,16H2,1H3,(H,17,18)
InChIKeyMUTLWEXSKIXSTO-UHFFFAOYSA-N
MW271.24 g/mol
LogP3.45
Rot. Bonds3

About 4-N-[1-(furan-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine

4-N-[1-(furan-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 106747303) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 4-N-[1-(furan-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[1-(furan-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID106747303
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name4-N-[1-(furan-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCC(Nc1cc(C(F)(F)F)ncc1N)c1ccco1
InChIInChI=1S/C12H12F3N3O/c1-7(10-3-2-4-19-10)18-9-5-11(12(13,14)15)17-6-8(9)16/h2-7H,16H2,1H3,(H,17,18)
InChIKeyMUTLWEXSKIXSTO-UHFFFAOYSA-N
XLogP3.45
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747446
4-N-[1-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747467
4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106387726
4-N-pentan-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747145
N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 60727078
4-fluoro-2-N-[1-(furan-2-yl)ethyl]-5-iodobenzene-1,2-diamine
CID 66101255
4-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-2-ol
CID 106748001
N-[1-(furan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 43399613
2-chloro-N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)aniline
CID 43714604
6-bromo-4-N-[1-(furan-2-yl)ethyl]quinoline-3,4-diamine
CID 43621334
5-N-[1-(furan-2-yl)ethyl]pyridine-2,5-diamine
CID 43535641
3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-1-ol
CID 106748077

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(furan-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-[1-(furan-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine (CID 106747303) is 4-N-[1-(furan-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-[1-(furan-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-[1-(furan-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine is CC(Nc1cc(C(F)(F)F)ncc1N)c1ccco1.
What is the InChIKey of 4-N-[1-(furan-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is MUTLWEXSKIXSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-7(10-3-2-4-19-10)18-9-5-11(12(13,14)15)17-6-8(9)16/h2-7H,16H2,1H3,(H,17,18).
What are the key properties of 4-N-[1-(furan-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine?
4-N-[1-(furan-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 271.24 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(furan-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 106747303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).