1-(2,3-difluorophenyl)-3-(oxolan-3-yl)propan-2-one

C13H14F2O2 — CID 103986174

IUPAC1-(2,3-difluorophenyl)-3-(oxolan-3-yl)propan-2-one
SMILESO=C(Cc1cccc(F)c1F)CC1CCOC1
InChIInChI=1S/C13H14F2O2/c14-12-3-1-2-10(13(12)15)7-11(16)6-9-4-5-17-8-9/h1-3,9H,4-8H2
InChIKeyWYMYTIPYCVAQHJ-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.50
Rot. Bonds4

About 1-(2,3-difluorophenyl)-3-(oxolan-3-yl)propan-2-one

1-(2,3-difluorophenyl)-3-(oxolan-3-yl)propan-2-one (PubChem CID 103986174) has the molecular formula C13H14F2O2 and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-(oxolan-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-(oxolan-3-yl)propan-2-one
PubChem CID103986174
Molecular FormulaC13H14F2O2
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name1-(2,3-difluorophenyl)-3-(oxolan-3-yl)propan-2-one
SMILESO=C(Cc1cccc(F)c1F)CC1CCOC1
InChIInChI=1S/C13H14F2O2/c14-12-3-1-2-10(13(12)15)7-11(16)6-9-4-5-17-8-9/h1-3,9H,4-8H2
InChIKeyWYMYTIPYCVAQHJ-UHFFFAOYSA-N
XLogP2.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-3-(oxolan-3-yl)propan-2-one
CID 103986233
3-[(2,3-difluorophenyl)methyl-[2-[(3R)-oxolan-3-yl]acetyl]amino]propanoic acid
CID 125151849
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-difluorophenyl)propan-2-one
CID 116588445
1-(2-chloro-5-fluorophenyl)-3-(oxolan-3-yl)propan-2-one
CID 102617804
oxolan-3-ylmethyl 2,3-difluorobenzoate
CID 62865708
2-fluoro-6-[(oxolan-3-ylmethylamino)methyl]phenol
CID 112606580
1-(5-ethylthiophen-2-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986260
1-cyclobutyl-3-(2-fluorophenyl)propan-2-one
CID 65457629
1-(oxan-4-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986313
1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-one
CID 106867100
1-cyclohexyl-3-(2-fluorophenyl)propan-2-one
CID 61078076
5-[(2,3-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325977

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-(oxolan-3-yl)propan-2-one?
The IUPAC name of 1-(2,3-difluorophenyl)-3-(oxolan-3-yl)propan-2-one (CID 103986174) is 1-(2,3-difluorophenyl)-3-(oxolan-3-yl)propan-2-one.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-(oxolan-3-yl)propan-2-one?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-(oxolan-3-yl)propan-2-one is O=C(Cc1cccc(F)c1F)CC1CCOC1.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-(oxolan-3-yl)propan-2-one?
The InChIKey is WYMYTIPYCVAQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O2/c14-12-3-1-2-10(13(12)15)7-11(16)6-9-4-5-17-8-9/h1-3,9H,4-8H2.
What are the key properties of 1-(2,3-difluorophenyl)-3-(oxolan-3-yl)propan-2-one?
1-(2,3-difluorophenyl)-3-(oxolan-3-yl)propan-2-one has a molecular weight of 240.25 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-3-(oxolan-3-yl)propan-2-one is sourced from PubChem (CID 103986174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).