2-fluoro-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one

C10H12FNO — CID 130562265

IUPAC2-fluoro-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one
SMILESCc1ccncc1C(=O)C(C)(C)F
InChIInChI=1S/C10H12FNO/c1-7-4-5-12-6-8(7)9(13)10(2,3)11/h4-6H,1-3H3
InChIKeyYPDYMVZNHPLXLO-UHFFFAOYSA-N
MW181.21 g/mol
LogP2.32
Rot. Bonds2

About 2-fluoro-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one

2-fluoro-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one (PubChem CID 130562265) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-fluoro-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name2-fluoro-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one
PubChem CID130562265
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name2-fluoro-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one
SMILESCc1ccncc1C(=O)C(C)(C)F
InChIInChI=1S/C10H12FNO/c1-7-4-5-12-6-8(7)9(13)10(2,3)11/h4-6H,1-3H3
InChIKeyYPDYMVZNHPLXLO-UHFFFAOYSA-N
XLogP2.32
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one?
The IUPAC name of 2-fluoro-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one (CID 130562265) is 2-fluoro-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one.
What is the SMILES notation for 2-fluoro-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one?
The canonical SMILES for 2-fluoro-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one is Cc1ccncc1C(=O)C(C)(C)F.
What is the InChIKey of 2-fluoro-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one?
The InChIKey is YPDYMVZNHPLXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-7-4-5-12-6-8(7)9(13)10(2,3)11/h4-6H,1-3H3.
What are the key properties of 2-fluoro-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one?
2-fluoro-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one has a molecular weight of 181.21 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one is sourced from PubChem (CID 130562265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).