(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanone

C12H12F2O2 — CID 114824695

IUPAC(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)c2ccc(F)c(F)c2)CO1
InChIInChI=1S/C12H12F2O2/c1-7-4-9(6-16-7)12(15)8-2-3-10(13)11(14)5-8/h2-3,5,7,9H,4,6H2,1H3
InChIKeyCFNGLDQIXIITEN-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.57
Rot. Bonds2

About (3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanone

(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanone (PubChem CID 114824695) has the molecular formula C12H12F2O2 and a molecular weight of 226.22 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanone
PubChem CID114824695
Molecular FormulaC12H12F2O2
Molecular Weight226.22 g/mol
Exact Mass226.08
IUPAC Name(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)c2ccc(F)c(F)c2)CO1
InChIInChI=1S/C12H12F2O2/c1-7-4-9(6-16-7)12(15)8-2-3-10(13)11(14)5-8/h2-3,5,7,9H,4,6H2,1H3
InChIKeyCFNGLDQIXIITEN-UHFFFAOYSA-N
XLogP2.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanone 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

(4-iodophenyl)-(5-methyloxolan-3-yl)methanone
CID 114824694
(2-chloro-4,5-difluorophenyl)-(5-methyloxolan-3-yl)methanone
CID 107475700
(3-methoxyphenyl)-(5-methyloxolan-3-yl)methanone
CID 114962440
N-(4-carbamothioyl-2-fluorophenyl)-5-methyloxolane-3-carboxamide
CID 114825640
(3,4-difluorophenyl)-(2-methyloxolan-3-yl)methanone
CID 79758215
(3,4-difluorophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917605
(5-methyloxolan-3-yl)-(4-propoxyphenyl)methanone
CID 114971025
2-adamantyl-(3,4-difluorophenyl)methanone
CID 81100525
(5-methyloxolan-3-yl)-(2,4,6-trichlorophenyl)methanone
CID 105349156
2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114964753
(4-methoxy-2-methylphenyl)-(5-methyloxolan-3-yl)methanone
CID 114965478
(3,4-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105098223

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanone (CID 114824695) is (3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanone is CC1CC(C(=O)c2ccc(F)c(F)c2)CO1.
What is the InChIKey of (3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanone?
The InChIKey is CFNGLDQIXIITEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O2/c1-7-4-9(6-16-7)12(15)8-2-3-10(13)11(14)5-8/h2-3,5,7,9H,4,6H2,1H3.
What are the key properties of (3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanone?
(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanone has a molecular weight of 226.22 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanone is sourced from PubChem (CID 114824695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).