[5-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]furan-2-yl]methanol

C12H11F3N2O2 — CID 82811906

IUPAC[5-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2ccc(C(F)(F)F)nc2)o1
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)11-4-1-8(5-17-11)16-6-9-2-3-10(7-18)19-9/h1-5,16,18H,6-7H2
InChIKeyVJFKZHLWVHVLEM-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.80
Rot. Bonds4

About [5-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]furan-2-yl]methanol

[5-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]furan-2-yl]methanol (PubChem CID 82811906) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is [5-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]furan-2-yl]methanol
PubChem CID82811906
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name[5-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2ccc(C(F)(F)F)nc2)o1
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)11-4-1-8(5-17-11)16-6-9-2-3-10(7-18)19-9/h1-5,16,18H,6-7H2
InChIKeyVJFKZHLWVHVLEM-UHFFFAOYSA-N
XLogP2.80
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]furan-2-yl]methanol (CID 82811906) is [5-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]furan-2-yl]methanol is OCc1ccc(CNc2ccc(C(F)(F)F)nc2)o1.
What is the InChIKey of [5-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]furan-2-yl]methanol?
The InChIKey is VJFKZHLWVHVLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c13-12(14,15)11-4-1-8(5-17-11)16-6-9-2-3-10(7-18)19-9/h1-5,16,18H,6-7H2.
What are the key properties of [5-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]furan-2-yl]methanol?
[5-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]furan-2-yl]methanol has a molecular weight of 272.23 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 82811906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).