(2,4-difluorophenyl)-(oxan-4-yl)methanone

C12H12F2O2 — CID 62905461

IUPAC(2,4-difluorophenyl)-(oxan-4-yl)methanone
SMILESO=C(c1ccc(F)cc1F)C1CCOCC1
InChIInChI=1S/C12H12F2O2/c13-9-1-2-10(11(14)7-9)12(15)8-3-5-16-6-4-8/h1-2,7-8H,3-6H2
InChIKeyOKBFNYBPFFVWPZ-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.57
Rot. Bonds2

About (2,4-difluorophenyl)-(oxan-4-yl)methanone

(2,4-difluorophenyl)-(oxan-4-yl)methanone (PubChem CID 62905461) has the molecular formula C12H12F2O2 and a molecular weight of 226.22 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(oxan-4-yl)methanone
PubChem CID62905461
Molecular FormulaC12H12F2O2
Molecular Weight226.22 g/mol
Exact Mass226.08
IUPAC Name(2,4-difluorophenyl)-(oxan-4-yl)methanone
SMILESO=C(c1ccc(F)cc1F)C1CCOCC1
InChIInChI=1S/C12H12F2O2/c13-9-1-2-10(11(14)7-9)12(15)8-3-5-16-6-4-8/h1-2,7-8H,3-6H2
InChIKeyOKBFNYBPFFVWPZ-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

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(oxan-4-yl)methanone?
The IUPAC name of (2,4-difluorophenyl)-(oxan-4-yl)methanone (CID 62905461) is (2,4-difluorophenyl)-(oxan-4-yl)methanone.
What is the SMILES notation for (2,4-difluorophenyl)-(oxan-4-yl)methanone?
The canonical SMILES for (2,4-difluorophenyl)-(oxan-4-yl)methanone is O=C(c1ccc(F)cc1F)C1CCOCC1.
What is the InChIKey of (2,4-difluorophenyl)-(oxan-4-yl)methanone?
The InChIKey is OKBFNYBPFFVWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O2/c13-9-1-2-10(11(14)7-9)12(15)8-3-5-16-6-4-8/h1-2,7-8H,3-6H2.
What are the key properties of (2,4-difluorophenyl)-(oxan-4-yl)methanone?
(2,4-difluorophenyl)-(oxan-4-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 (2,4-difluorophenyl)-(oxan-4-yl)methanone is sourced from PubChem (CID 62905461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).