2-[2-(trifluoromethyl)prop-2-enylidene]-1H-pyridine

C9H8F3N — CID 170909813

IUPAC2-[2-(trifluoromethyl)prop-2-enylidene]-1H-pyridine
SMILESC=C(C=C1C=CC=CN1)C(F)(F)F
InChIInChI=1S/C9H8F3N/c1-7(9(10,11)12)6-8-4-2-3-5-13-8/h2-6,13H,1H2
InChIKeySUTHKECFCYNJLR-UHFFFAOYSA-N
MW187.16 g/mol
LogP2.66
Rot. Bonds1

About 2-[2-(trifluoromethyl)prop-2-enylidene]-1H-pyridine

2-[2-(trifluoromethyl)prop-2-enylidene]-1H-pyridine (PubChem CID 170909813) has the molecular formula C9H8F3N and a molecular weight of 187.16 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)prop-2-enylidene]-1H-pyridine.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)prop-2-enylidene]-1H-pyridine
PubChem CID170909813
Molecular FormulaC9H8F3N
Molecular Weight187.16 g/mol
Exact Mass187.06
IUPAC Name2-[2-(trifluoromethyl)prop-2-enylidene]-1H-pyridine
SMILESC=C(C=C1C=CC=CN1)C(F)(F)F
InChIInChI=1S/C9H8F3N/c1-7(9(10,11)12)6-8-4-2-3-5-13-8/h2-6,13H,1H2
InChIKeySUTHKECFCYNJLR-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[2-(trifluoromethyl)prop-2-enylidene]-1H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Trifluoromethyl-1,2-dihydroazine
CID 18539792
2-Fluoropicoline
CID 69611625
Cyclohepta[1,2-b]pyridine
CID 22270306
4-(Trifluoromethyl)-1,2-dihydropyridine
CID 18367699
5-(Trifluoromethyl)-1,2-dihydropyridine
CID 19363749
2-fluoro-2,3-dimethyl-1H-pyridine
CID 22615259
2-methylidene-4-(trifluoromethyl)-1H-pyridine
CID 57561963
2-fluoro-2-[(Z)-2-(2-fluoro-1H-pyridin-2-yl)ethenyl]-1H-pyridine
CID 67600336
(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073825
(1E,3Z)-5-(3,5-difluorocyclohexa-1,5-dien-1-yl)hexa-1,3,5-triene-1,2-diamine
CID 89224155
(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
CID 89289612
(1E,3Z)-N,5-dimethyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 89302512

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)prop-2-enylidene]-1H-pyridine?
The IUPAC name of 2-[2-(trifluoromethyl)prop-2-enylidene]-1H-pyridine (CID 170909813) is 2-[2-(trifluoromethyl)prop-2-enylidene]-1H-pyridine.
What is the SMILES notation for 2-[2-(trifluoromethyl)prop-2-enylidene]-1H-pyridine?
The canonical SMILES for 2-[2-(trifluoromethyl)prop-2-enylidene]-1H-pyridine is C=C(C=C1C=CC=CN1)C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)prop-2-enylidene]-1H-pyridine?
The InChIKey is SUTHKECFCYNJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N/c1-7(9(10,11)12)6-8-4-2-3-5-13-8/h2-6,13H,1H2.
What are the key properties of 2-[2-(trifluoromethyl)prop-2-enylidene]-1H-pyridine?
2-[2-(trifluoromethyl)prop-2-enylidene]-1H-pyridine has a molecular weight of 187.16 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)prop-2-enylidene]-1H-pyridine is sourced from PubChem (CID 170909813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).