(3,4-difluorophenyl)-(2-methyloxolan-3-yl)methanone

C12H12F2O2 — CID 79758215

IUPAC(3,4-difluorophenyl)-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H12F2O2/c1-7-9(4-5-16-7)12(15)8-2-3-10(13)11(14)6-8/h2-3,6-7,9H,4-5H2,1H3
InChIKeyNTSDNRZYKXCMLI-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.57
Rot. Bonds2

About (3,4-difluorophenyl)-(2-methyloxolan-3-yl)methanone

(3,4-difluorophenyl)-(2-methyloxolan-3-yl)methanone (PubChem CID 79758215) has the molecular formula C12H12F2O2 and a molecular weight of 226.22 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(2-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(2-methyloxolan-3-yl)methanone
PubChem CID79758215
Molecular FormulaC12H12F2O2
Molecular Weight226.22 g/mol
Exact Mass226.08
IUPAC Name(3,4-difluorophenyl)-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H12F2O2/c1-7-9(4-5-16-7)12(15)8-2-3-10(13)11(14)6-8/h2-3,6-7,9H,4-5H2,1H3
InChIKeyNTSDNRZYKXCMLI-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)-(2-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

(2-fluoro-5-methylphenyl)-(2-methyloxolan-3-yl)methanone
CID 114970867
(4-iodophenyl)-(2-methyloxolan-3-yl)methanone
CID 79758034
(3-chloro-4-methoxyphenyl)-(2-methyloxolan-3-yl)methanone
CID 79759516
5-(2-methyloxolane-3-carbonyl)-1,3-dihydroindol-2-one
CID 79759211
(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanone
CID 114824695
(2-methyloxolan-3-yl)-(1H-pyrrol-3-yl)methanone
CID 79760181
(5-fluoro-2-methylphenyl)-(2-methyloxolan-3-yl)methanone
CID 114970634
(2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanone
CID 79759374
2-methyl-6-(2-methyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one
CID 79759663
6-(3,4-difluorobenzoyl)cyclohex-3-ene-1-carboxylic acid
CID 146004367
N-(5-amino-2-fluorophenyl)-2-methyloxolane-3-carboxamide
CID 79751128
(3,4-difluorophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917605

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(2-methyloxolan-3-yl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(2-methyloxolan-3-yl)methanone (CID 79758215) is (3,4-difluorophenyl)-(2-methyloxolan-3-yl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(2-methyloxolan-3-yl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(2-methyloxolan-3-yl)methanone is CC1OCCC1C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)-(2-methyloxolan-3-yl)methanone?
The InChIKey is NTSDNRZYKXCMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O2/c1-7-9(4-5-16-7)12(15)8-2-3-10(13)11(14)6-8/h2-3,6-7,9H,4-5H2,1H3.
What are the key properties of (3,4-difluorophenyl)-(2-methyloxolan-3-yl)methanone?
(3,4-difluorophenyl)-(2-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)-(2-methyloxolan-3-yl)methanone is sourced from PubChem (CID 79758215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).