3-(1,3-difluoropropan-2-yloxy)-2-methyl-1,2-dihydropyridine

C9H13F2NO — CID 173102360

IUPAC3-(1,3-difluoropropan-2-yloxy)-2-methyl-1,2-dihydropyridine
SMILESCC1NC=CC=C1OC(CF)CF
InChIInChI=1S/C9H13F2NO/c1-7-9(3-2-4-12-7)13-8(5-10)6-11/h2-4,7-8,12H,5-6H2,1H3
InChIKeyOJXJNAWVICWZKI-UHFFFAOYSA-N
MW189.20 g/mol
LogP1.70
Rot. Bonds4

About 3-(1,3-difluoropropan-2-yloxy)-2-methyl-1,2-dihydropyridine

3-(1,3-difluoropropan-2-yloxy)-2-methyl-1,2-dihydropyridine (PubChem CID 173102360) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is 3-(1,3-difluoropropan-2-yloxy)-2-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name3-(1,3-difluoropropan-2-yloxy)-2-methyl-1,2-dihydropyridine
PubChem CID173102360
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC Name3-(1,3-difluoropropan-2-yloxy)-2-methyl-1,2-dihydropyridine
SMILESCC1NC=CC=C1OC(CF)CF
InChIInChI=1S/C9H13F2NO/c1-7-9(3-2-4-12-7)13-8(5-10)6-11/h2-4,7-8,12H,5-6H2,1H3
InChIKeyOJXJNAWVICWZKI-UHFFFAOYSA-N
XLogP1.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1,3-difluoropropan-2-yloxy)-2-methyl-1,2-dihydropyridine 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-methyl-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-amine
CID 129216591
6-Ethyl-3-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine
CID 146538348
[3-(1,3-Difluoropropan-2-yloxy)-1,2-dihydropyridin-2-yl]methanol
CID 173058017
7,8-difluoro-3-methyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine
CID 91663177
2-Methanidyl-4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-1-ium
CID 162557057
2-Methyl-4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine
CID 162557058
6-Ethenyl-3-ethoxy-2-methyl-1,2-dihydropyridine
CID 70281155
3-Methoxy-2-methyl-1,2-dihydropyridine
CID 129042381
3-Ethoxy-2-methyl-1,2-dihydropyridine
CID 141774489
6-ethyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 144276838
2-(Ethoxymethyl)-3-methoxy-1,2-dihydropyridine
CID 173057991
3-Methoxy-2-(methoxymethyl)-1,2-dihydropyridine
CID 173057993

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-difluoropropan-2-yloxy)-2-methyl-1,2-dihydropyridine?
The IUPAC name of 3-(1,3-difluoropropan-2-yloxy)-2-methyl-1,2-dihydropyridine (CID 173102360) is 3-(1,3-difluoropropan-2-yloxy)-2-methyl-1,2-dihydropyridine.
What is the SMILES notation for 3-(1,3-difluoropropan-2-yloxy)-2-methyl-1,2-dihydropyridine?
The canonical SMILES for 3-(1,3-difluoropropan-2-yloxy)-2-methyl-1,2-dihydropyridine is CC1NC=CC=C1OC(CF)CF.
What is the InChIKey of 3-(1,3-difluoropropan-2-yloxy)-2-methyl-1,2-dihydropyridine?
The InChIKey is OJXJNAWVICWZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO/c1-7-9(3-2-4-12-7)13-8(5-10)6-11/h2-4,7-8,12H,5-6H2,1H3.
What are the key properties of 3-(1,3-difluoropropan-2-yloxy)-2-methyl-1,2-dihydropyridine?
3-(1,3-difluoropropan-2-yloxy)-2-methyl-1,2-dihydropyridine has a molecular weight of 189.20 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-difluoropropan-2-yloxy)-2-methyl-1,2-dihydropyridine is sourced from PubChem (CID 173102360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).