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

C13H14F3N3O — CID 106747446

IUPAC4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCC(Cc1ccco1)Nc1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C13H14F3N3O/c1-8(5-9-3-2-4-20-9)19-11-6-12(13(14,15)16)18-7-10(11)17/h2-4,6-8H,5,17H2,1H3,(H,18,19)
InChIKeyQPOPHINAATXATQ-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.32
Rot. Bonds4

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

4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 106747446) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID106747446
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCC(Cc1ccco1)Nc1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C13H14F3N3O/c1-8(5-9-3-2-4-20-9)19-11-6-12(13(14,15)16)18-7-10(11)17/h2-4,6-8H,5,17H2,1H3,(H,18,19)
InChIKeyQPOPHINAATXATQ-UHFFFAOYSA-N
XLogP3.32
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[1-(furan-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747303
4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564446
4-N-pentan-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747145
4-N-[1-(furan-2-yl)propan-2-yl]pyridine-3,4-diamine
CID 61469609
4-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-2-ol
CID 106748001
4-N-(furan-2-ylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747297
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330241
4-bromo-5-fluoro-2-N-[1-(furan-2-yl)propan-2-yl]benzene-1,2-diamine
CID 116735654
4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide
CID 82907696
N-[1-(furan-2-yl)propan-2-yl]-5-iodopyrimidin-2-amine
CID 104840074
4-N-[1-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747467
4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzamide
CID 63356356

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyridine-3,4-diamine (CID 106747446) is 4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyridine-3,4-diamine is CC(Cc1ccco1)Nc1cc(C(F)(F)F)ncc1N.
What is the InChIKey of 4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is QPOPHINAATXATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-8(5-9-3-2-4-20-9)19-11-6-12(13(14,15)16)18-7-10(11)17/h2-4,6-8H,5,17H2,1H3,(H,18,19).
What are the key properties of 4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyridine-3,4-diamine?
4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 285.27 g/mol, XLogP of 3.32, 4 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)propan-2-yl]-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 106747446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).