[2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol

C7H8F3NO — CID 164602683

IUPAC[2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol
SMILESOCC1=CC(C(F)(F)F)NC=C1
InChIInChI=1S/C7H8F3NO/c8-7(9,10)6-3-5(4-12)1-2-11-6/h1-3,6,11-12H,4H2
InChIKeyWAFFXXAYHXFHQE-UHFFFAOYSA-N
MW179.14 g/mol
LogP0.95
Rot. Bonds1

About [2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol

[2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol (PubChem CID 164602683) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is [2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol.

Molecular Properties

Compound Name[2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol
PubChem CID164602683
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name[2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol
SMILESOCC1=CC(C(F)(F)F)NC=C1
InChIInChI=1S/C7H8F3NO/c8-7(9,10)6-3-5(4-12)1-2-11-6/h1-3,6,11-12H,4H2
InChIKeyWAFFXXAYHXFHQE-UHFFFAOYSA-N
XLogP0.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol?
The IUPAC name of [2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol (CID 164602683) is [2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol.
What is the SMILES notation for [2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol?
The canonical SMILES for [2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol is OCC1=CC(C(F)(F)F)NC=C1.
What is the InChIKey of [2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol?
The InChIKey is WAFFXXAYHXFHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c8-7(9,10)6-3-5(4-12)1-2-11-6/h1-3,6,11-12H,4H2.
What are the key properties of [2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol?
[2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol has a molecular weight of 179.14 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol is sourced from PubChem (CID 164602683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).