1-(2,3-difluorophenyl)-4-(oxolan-2-yl)butan-1-one

C14H16F2O2 — CID 114976662

IUPAC1-(2,3-difluorophenyl)-4-(oxolan-2-yl)butan-1-one
SMILESO=C(CCCC1CCCO1)c1cccc(F)c1F
InChIInChI=1S/C14H16F2O2/c15-12-7-2-6-11(14(12)16)13(17)8-1-4-10-5-3-9-18-10/h2,6-7,10H,1,3-5,8-9H2
InChIKeyWQGHDDVASUTGJV-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.50
Rot. Bonds5

About 1-(2,3-difluorophenyl)-4-(oxolan-2-yl)butan-1-one

1-(2,3-difluorophenyl)-4-(oxolan-2-yl)butan-1-one (PubChem CID 114976662) has the molecular formula C14H16F2O2 and a molecular weight of 254.28 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-4-(oxolan-2-yl)butan-1-one.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-4-(oxolan-2-yl)butan-1-one
PubChem CID114976662
Molecular FormulaC14H16F2O2
Molecular Weight254.28 g/mol
Exact Mass254.11
IUPAC Name1-(2,3-difluorophenyl)-4-(oxolan-2-yl)butan-1-one
SMILESO=C(CCCC1CCCO1)c1cccc(F)c1F
InChIInChI=1S/C14H16F2O2/c15-12-7-2-6-11(14(12)16)13(17)8-1-4-10-5-3-9-18-10/h2,6-7,10H,1,3-5,8-9H2
InChIKeyWQGHDDVASUTGJV-UHFFFAOYSA-N
XLogP3.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-difluorophenyl)-4-(oxolan-2-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-one
CID 114976783
1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one
CID 65166956
1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 107515192
1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one
CID 114972950
1-(2,3-difluorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)butan-1-one
CID 24727860
1-(2-bromofuran-3-yl)-4-(oxolan-2-yl)butan-1-one
CID 106856675
1-(2-chlorofuran-3-yl)-4-(oxolan-2-yl)butan-1-one
CID 106691075
1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-ol
CID 115808969
1-(3-methoxyphenyl)-4-(oxolan-2-yl)butan-1-one
CID 65167309
1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-1-one
CID 115792182
4-(oxolan-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylbutan-1-one
CID 103124735
1-(2-tert-butylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 114976956

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-4-(oxolan-2-yl)butan-1-one?
The IUPAC name of 1-(2,3-difluorophenyl)-4-(oxolan-2-yl)butan-1-one (CID 114976662) is 1-(2,3-difluorophenyl)-4-(oxolan-2-yl)butan-1-one.
What is the SMILES notation for 1-(2,3-difluorophenyl)-4-(oxolan-2-yl)butan-1-one?
The canonical SMILES for 1-(2,3-difluorophenyl)-4-(oxolan-2-yl)butan-1-one is O=C(CCCC1CCCO1)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-4-(oxolan-2-yl)butan-1-one?
The InChIKey is WQGHDDVASUTGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O2/c15-12-7-2-6-11(14(12)16)13(17)8-1-4-10-5-3-9-18-10/h2,6-7,10H,1,3-5,8-9H2.
What are the key properties of 1-(2,3-difluorophenyl)-4-(oxolan-2-yl)butan-1-one?
1-(2,3-difluorophenyl)-4-(oxolan-2-yl)butan-1-one has a molecular weight of 254.28 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-4-(oxolan-2-yl)butan-1-one is sourced from PubChem (CID 114976662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).