1-(2,5-difluorophenyl)-2-[(2R)-oxan-2-yl]oxypropan-1-one

C14H16F2O3 — CID 118421064

IUPAC1-(2,5-difluorophenyl)-2-[(2R)-oxan-2-yl]oxypropan-1-one
SMILESCC(O[C@@H]1CCCCO1)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H16F2O3/c1-9(19-13-4-2-3-7-18-13)14(17)11-8-10(15)5-6-12(11)16/h5-6,8-9,13H,2-4,7H2,1H3/t9?,13-/m1/s1
InChIKeyPKRHUCFPMFLUSS-WCRCJTMVSA-N
MW270.27 g/mol
LogP3.08
Rot. Bonds4

About 1-(2,5-difluorophenyl)-2-[(2R)-oxan-2-yl]oxypropan-1-one

1-(2,5-difluorophenyl)-2-[(2R)-oxan-2-yl]oxypropan-1-one (PubChem CID 118421064) has the molecular formula C14H16F2O3 and a molecular weight of 270.27 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-[(2R)-oxan-2-yl]oxypropan-1-one.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-[(2R)-oxan-2-yl]oxypropan-1-one
PubChem CID118421064
Molecular FormulaC14H16F2O3
Molecular Weight270.27 g/mol
Exact Mass270.11
IUPAC Name1-(2,5-difluorophenyl)-2-[(2R)-oxan-2-yl]oxypropan-1-one
SMILESCC(O[C@@H]1CCCCO1)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H16F2O3/c1-9(19-13-4-2-3-7-18-13)14(17)11-8-10(15)5-6-12(11)16/h5-6,8-9,13H,2-4,7H2,1H3/t9?,13-/m1/s1
InChIKeyPKRHUCFPMFLUSS-WCRCJTMVSA-N
XLogP3.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-2-(oxan-2-yloxy)propan-1-one
CID 16662814
(2S)-2-[3-(2,5-difluorophenyl)but-3-en-2-yloxy]oxane
CID 69186082
2-[(1R)-1-[(2R)-2-(2,5-difluorophenyl)oxiran-2-yl]ethoxy]oxane
CID 58224184
2-(oxan-2-yloxy)propanoic acid
CID 542280
4-(2,5-difluorophenyl)-4-(oxan-2-yloxy)-3-phenylbutan-2-one
CID 68869589
2-(2,4-difluorophenyl)-2-(oxan-2-yloxy)ethanimidamide
CID 54203855
1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]propan-1-one
CID 67803276
2,4-difluoro-N-[(2R)-oxan-2-yl]oxybenzamide
CID 94817259
2-[(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethoxy]oxane
CID 10085270
1-(3,4-difluorophenyl)-2-(oxan-2-ylmethoxy)propan-1-one
CID 43798954
(E)-1-(2,5-difluorophenyl)-6-(oxan-2-yloxy)-3-phenylhex-2-en-1-one
CID 59303190
(3R)-1-chloro-3-(oxan-2-yloxy)butan-2-one
CID 11506704

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-[(2R)-oxan-2-yl]oxypropan-1-one?
The IUPAC name of 1-(2,5-difluorophenyl)-2-[(2R)-oxan-2-yl]oxypropan-1-one (CID 118421064) is 1-(2,5-difluorophenyl)-2-[(2R)-oxan-2-yl]oxypropan-1-one.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-[(2R)-oxan-2-yl]oxypropan-1-one?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-[(2R)-oxan-2-yl]oxypropan-1-one is CC(O[C@@H]1CCCCO1)C(=O)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-[(2R)-oxan-2-yl]oxypropan-1-one?
The InChIKey is PKRHUCFPMFLUSS-WCRCJTMVSA-N. The full InChI is InChI=1S/C14H16F2O3/c1-9(19-13-4-2-3-7-18-13)14(17)11-8-10(15)5-6-12(11)16/h5-6,8-9,13H,2-4,7H2,1H3/t9?,13-/m1/s1.
What are the key properties of 1-(2,5-difluorophenyl)-2-[(2R)-oxan-2-yl]oxypropan-1-one?
1-(2,5-difluorophenyl)-2-[(2R)-oxan-2-yl]oxypropan-1-one has a molecular weight of 270.27 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-[(2R)-oxan-2-yl]oxypropan-1-one is sourced from PubChem (CID 118421064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).