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

C15H18F2O2 — CID 114976783

IUPAC1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-one
SMILESO=C(CCCC1CCCO1)Cc1cccc(F)c1F
InChIInChI=1S/C15H18F2O2/c16-14-8-1-4-11(15(14)17)10-12(18)5-2-6-13-7-3-9-19-13/h1,4,8,13H,2-3,5-7,9-10H2
InChIKeyMLVZRPMIFCEDKZ-UHFFFAOYSA-N
MW268.30 g/mol
LogP3.43
Rot. Bonds6

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

1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-one (PubChem CID 114976783) has the molecular formula C15H18F2O2 and a molecular weight of 268.30 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-one.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-one
PubChem CID114976783
Molecular FormulaC15H18F2O2
Molecular Weight268.30 g/mol
Exact Mass268.13
IUPAC Name1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-one
SMILESO=C(CCCC1CCCO1)Cc1cccc(F)c1F
InChIInChI=1S/C15H18F2O2/c16-14-8-1-4-11(15(14)17)10-12(18)5-2-6-13-7-3-9-19-13/h1,4,8,13H,2-3,5-7,9-10H2
InChIKeyMLVZRPMIFCEDKZ-UHFFFAOYSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-4-(oxolan-2-yl)butan-1-one
CID 114976662
1-(3-chloro-2-fluorophenyl)-4-(oxolan-2-yl)butan-2-one
CID 82802705
1-(2-fluorophenyl)-4-(oxan-2-yl)butan-2-one
CID 63952955
1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-ol
CID 115808969
1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-one
CID 65166948
1-(2,3-difluorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 104993032
1-(3,4-dichlorophenyl)-5-(oxolan-2-yl)pentan-2-one
CID 65167105
5-chloro-1-(2,3-difluorophenyl)pentan-2-one
CID 66044922
1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one
CID 114972950
3-[3-(2,3-difluorophenyl)propanoyl-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124703574
1-chloro-7-(oxolan-2-yl)heptan-4-one
CID 66044442
1-amino-7-(oxolan-2-yl)-1-phenylheptan-4-one
CID 116570924

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-one?
The IUPAC name of 1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-one (CID 114976783) is 1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-one.
What is the SMILES notation for 1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-one?
The canonical SMILES for 1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-one is O=C(CCCC1CCCO1)Cc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-one?
The InChIKey is MLVZRPMIFCEDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O2/c16-14-8-1-4-11(15(14)17)10-12(18)5-2-6-13-7-3-9-19-13/h1,4,8,13H,2-3,5-7,9-10H2.
What are the key properties of 1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-one?
1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-one has a molecular weight of 268.30 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-one is sourced from PubChem (CID 114976783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).