(2,3-difluoro-4-methylphenyl)-(2-ethyloxolan-3-yl)methanone

C14H16F2O2 — CID 114106630

IUPAC(2,3-difluoro-4-methylphenyl)-(2-ethyloxolan-3-yl)methanone
SMILESCCC1OCCC1C(=O)c1ccc(C)c(F)c1F
InChIInChI=1S/C14H16F2O2/c1-3-11-9(6-7-18-11)14(17)10-5-4-8(2)12(15)13(10)16/h4-5,9,11H,3,6-7H2,1-2H3
InChIKeyPXAWBJIJMYSVMD-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.27
Rot. Bonds3

About (2,3-difluoro-4-methylphenyl)-(2-ethyloxolan-3-yl)methanone

(2,3-difluoro-4-methylphenyl)-(2-ethyloxolan-3-yl)methanone (PubChem CID 114106630) has the molecular formula C14H16F2O2 and a molecular weight of 254.28 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-(2-ethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-(2-ethyloxolan-3-yl)methanone
PubChem CID114106630
Molecular FormulaC14H16F2O2
Molecular Weight254.28 g/mol
Exact Mass254.11
IUPAC Name(2,3-difluoro-4-methylphenyl)-(2-ethyloxolan-3-yl)methanone
SMILESCCC1OCCC1C(=O)c1ccc(C)c(F)c1F
InChIInChI=1S/C14H16F2O2/c1-3-11-9(6-7-18-11)14(17)10-5-4-8(2)12(15)13(10)16/h4-5,9,11H,3,6-7H2,1-2H3
InChIKeyPXAWBJIJMYSVMD-UHFFFAOYSA-N
XLogP3.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-(2-ethyloxolan-3-yl)methanone?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-(2-ethyloxolan-3-yl)methanone (CID 114106630) is (2,3-difluoro-4-methylphenyl)-(2-ethyloxolan-3-yl)methanone.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-(2-ethyloxolan-3-yl)methanone?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-(2-ethyloxolan-3-yl)methanone is CCC1OCCC1C(=O)c1ccc(C)c(F)c1F.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-(2-ethyloxolan-3-yl)methanone?
The InChIKey is PXAWBJIJMYSVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O2/c1-3-11-9(6-7-18-11)14(17)10-5-4-8(2)12(15)13(10)16/h4-5,9,11H,3,6-7H2,1-2H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-(2-ethyloxolan-3-yl)methanone?
(2,3-difluoro-4-methylphenyl)-(2-ethyloxolan-3-yl)methanone has a molecular weight of 254.28 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl)-(2-ethyloxolan-3-yl)methanone is sourced from PubChem (CID 114106630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).