1-(2,5-difluorophenyl)-3-(oxolan-3-yl)propan-2-one

C13H14F2O2 — CID 103986233

IUPAC1-(2,5-difluorophenyl)-3-(oxolan-3-yl)propan-2-one
SMILESO=C(Cc1cc(F)ccc1F)CC1CCOC1
InChIInChI=1S/C13H14F2O2/c14-11-1-2-13(15)10(6-11)7-12(16)5-9-3-4-17-8-9/h1-2,6,9H,3-5,7-8H2
InChIKeyIOSYCXPWAFUNNU-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.50
Rot. Bonds4

About 1-(2,5-difluorophenyl)-3-(oxolan-3-yl)propan-2-one

1-(2,5-difluorophenyl)-3-(oxolan-3-yl)propan-2-one (PubChem CID 103986233) has the molecular formula C13H14F2O2 and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-(oxolan-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-(oxolan-3-yl)propan-2-one
PubChem CID103986233
Molecular FormulaC13H14F2O2
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name1-(2,5-difluorophenyl)-3-(oxolan-3-yl)propan-2-one
SMILESO=C(Cc1cc(F)ccc1F)CC1CCOC1
InChIInChI=1S/C13H14F2O2/c14-11-1-2-13(15)10(6-11)7-12(16)5-9-3-4-17-8-9/h1-2,6,9H,3-5,7-8H2
InChIKeyIOSYCXPWAFUNNU-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-chloro-5-fluorophenyl)-3-(oxolan-3-yl)propan-2-one
CID 102617804
1-(2,5-difluorophenyl)-3-morpholin-3-ylpropan-2-one
CID 116595683
1-(2,3-difluorophenyl)-3-(oxolan-3-yl)propan-2-one
CID 103986174
N-[(2,4-difluorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920891
1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-one
CID 106867100
1-(oxolan-3-yl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 103986247
N-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 126789596
1-(5-ethylthiophen-2-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986260
1-cycloheptyl-3-(2,4-difluorophenyl)propan-2-one
CID 114458081
1-(oxan-4-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986313
1-chloro-3-(2,5-difluorophenyl)propan-2-one
CID 131011955
1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one
CID 64558874

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-(oxolan-3-yl)propan-2-one?
The IUPAC name of 1-(2,5-difluorophenyl)-3-(oxolan-3-yl)propan-2-one (CID 103986233) is 1-(2,5-difluorophenyl)-3-(oxolan-3-yl)propan-2-one.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-(oxolan-3-yl)propan-2-one?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-(oxolan-3-yl)propan-2-one is O=C(Cc1cc(F)ccc1F)CC1CCOC1.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-(oxolan-3-yl)propan-2-one?
The InChIKey is IOSYCXPWAFUNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O2/c14-11-1-2-13(15)10(6-11)7-12(16)5-9-3-4-17-8-9/h1-2,6,9H,3-5,7-8H2.
What are the key properties of 1-(2,5-difluorophenyl)-3-(oxolan-3-yl)propan-2-one?
1-(2,5-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-(2,5-difluorophenyl)-3-(oxolan-3-yl)propan-2-one is sourced from PubChem (CID 103986233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).