(5-ethylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol

C13H12F3NO2 — CID 102707294

IUPAC(5-ethylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCCc1ccc(C(O)c2cnccc2C(F)(F)F)o1
InChIInChI=1S/C13H12F3NO2/c1-2-8-3-4-11(19-8)12(18)9-7-17-6-5-10(9)13(14,15)16/h3-7,12,18H,2H2,1H3
InChIKeyFXERKTOXOUQCLZ-UHFFFAOYSA-N
MW271.24 g/mol
LogP3.34
Rot. Bonds3

About (5-ethylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol

(5-ethylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 102707294) has the molecular formula C13H12F3NO2 and a molecular weight of 271.24 g/mol. Its IUPAC name is (5-ethylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name(5-ethylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID102707294
Molecular FormulaC13H12F3NO2
Molecular Weight271.24 g/mol
Exact Mass271.08
IUPAC Name(5-ethylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCCc1ccc(C(O)c2cnccc2C(F)(F)F)o1
InChIInChI=1S/C13H12F3NO2/c1-2-8-3-4-11(19-8)12(18)9-7-17-6-5-10(9)13(14,15)16/h3-7,12,18H,2H2,1H3
InChIKeyFXERKTOXOUQCLZ-UHFFFAOYSA-N
XLogP3.34
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
(3-propylimidazol-4-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707386
1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol
CID 102710219
1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol
CID 102707324
[4-(trifluoromethyl)-3-pyridinyl]-(2,4,6-trimethylphenyl)methanol
CID 102707275
(5-ethylfuran-2-yl)-(2-fluorophenyl)methanol
CID 63893250
4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
CID 114211469
(2-bromophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707279
(3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707278
(2,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707286
4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
CID 102710133
1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol
CID 102707910

Frequently Asked Questions

What is the IUPAC name of (5-ethylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of (5-ethylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol (CID 102707294) is (5-ethylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for (5-ethylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for (5-ethylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol is CCc1ccc(C(O)c2cnccc2C(F)(F)F)o1.
What is the InChIKey of (5-ethylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is FXERKTOXOUQCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2/c1-2-8-3-4-11(19-8)12(18)9-7-17-6-5-10(9)13(14,15)16/h3-7,12,18H,2H2,1H3.
What are the key properties of (5-ethylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
(5-ethylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 271.24 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 102707294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).