4-(trifluoromethyl)-2,3-dihydropyridin-2-ol

C6H6F3NO — CID 90848995

IUPAC4-(trifluoromethyl)-2,3-dihydropyridin-2-ol
SMILESOC1CC(C(F)(F)F)=CC=N1
InChIInChI=1S/C6H6F3NO/c7-6(8,9)4-1-2-10-5(11)3-4/h1-2,5,11H,3H2
InChIKeyHVLOIXCIPIILJP-UHFFFAOYSA-N
MW165.11 g/mol
LogP1.27
Rot. Bonds

About 4-(trifluoromethyl)-2,3-dihydropyridin-2-ol

4-(trifluoromethyl)-2,3-dihydropyridin-2-ol (PubChem CID 90848995) has the molecular formula C6H6F3NO and a molecular weight of 165.11 g/mol. Its IUPAC name is 4-(trifluoromethyl)-2,3-dihydropyridin-2-ol.

Molecular Properties

Compound Name4-(trifluoromethyl)-2,3-dihydropyridin-2-ol
PubChem CID90848995
Molecular FormulaC6H6F3NO
Molecular Weight165.11 g/mol
Exact Mass165.04
IUPAC Name4-(trifluoromethyl)-2,3-dihydropyridin-2-ol
SMILESOC1CC(C(F)(F)F)=CC=N1
InChIInChI=1S/C6H6F3NO/c7-6(8,9)4-1-2-10-5(11)3-4/h1-2,5,11H,3H2
InChIKeyHVLOIXCIPIILJP-UHFFFAOYSA-N
XLogP1.27
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-2,3-dihydropyridin-2-ol?
The IUPAC name of 4-(trifluoromethyl)-2,3-dihydropyridin-2-ol (CID 90848995) is 4-(trifluoromethyl)-2,3-dihydropyridin-2-ol.
What is the SMILES notation for 4-(trifluoromethyl)-2,3-dihydropyridin-2-ol?
The canonical SMILES for 4-(trifluoromethyl)-2,3-dihydropyridin-2-ol is OC1CC(C(F)(F)F)=CC=N1.
What is the InChIKey of 4-(trifluoromethyl)-2,3-dihydropyridin-2-ol?
The InChIKey is HVLOIXCIPIILJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO/c7-6(8,9)4-1-2-10-5(11)3-4/h1-2,5,11H,3H2.
What are the key properties of 4-(trifluoromethyl)-2,3-dihydropyridin-2-ol?
4-(trifluoromethyl)-2,3-dihydropyridin-2-ol has a molecular weight of 165.11 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-2,3-dihydropyridin-2-ol is sourced from PubChem (CID 90848995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).