3-(1,4-dioxan-2-yl)-1,2-bis(4-fluorophenyl)propan-1-one

C19H18F2O3 — CID 162408126

IUPAC3-(1,4-dioxan-2-yl)-1,2-bis(4-fluorophenyl)propan-1-one
SMILESO=C(c1ccc(F)cc1)C(CC1COCCO1)c1ccc(F)cc1
InChIInChI=1S/C19H18F2O3/c20-15-5-1-13(2-6-15)18(11-17-12-23-9-10-24-17)19(22)14-3-7-16(21)8-4-14/h1-8,17-18H,9-12H2
InChIKeyHXUKHGODJVERMZ-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.74
Rot. Bonds5

About 3-(1,4-dioxan-2-yl)-1,2-bis(4-fluorophenyl)propan-1-one

3-(1,4-dioxan-2-yl)-1,2-bis(4-fluorophenyl)propan-1-one (PubChem CID 162408126) has the molecular formula C19H18F2O3 and a molecular weight of 332.35 g/mol. Its IUPAC name is 3-(1,4-dioxan-2-yl)-1,2-bis(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(1,4-dioxan-2-yl)-1,2-bis(4-fluorophenyl)propan-1-one
PubChem CID162408126
Molecular FormulaC19H18F2O3
Molecular Weight332.35 g/mol
Exact Mass332.12
IUPAC Name3-(1,4-dioxan-2-yl)-1,2-bis(4-fluorophenyl)propan-1-one
SMILESO=C(c1ccc(F)cc1)C(CC1COCCO1)c1ccc(F)cc1
InChIInChI=1S/C19H18F2O3/c20-15-5-1-13(2-6-15)18(11-17-12-23-9-10-24-17)19(22)14-3-7-16(21)8-4-14/h1-8,17-18H,9-12H2
InChIKeyHXUKHGODJVERMZ-UHFFFAOYSA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(1,4-dioxan-2-yl)-1,2-bis(4-fluorophenyl)propan-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-(4-Fluorophenyl)-4-[6-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,4,5-tetraoxan-3-yl]butan-1-one
CID 10764588
(1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, ethyl ester, (+-)-
CID 3074785
(1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, 2-methylpropyl ester, (+-)-
CID 3074786
4-Benzoyloxane
CID 54593414
(2,4-Difluorophenyl)-(oxan-4-yl)methanone
CID 62905461
2,2-Difluoro-1-(4-methylphenyl)-2-(oxan-4-yl)ethanone
CID 155929879
Ethyl 2,2-difluoro-5-oxo-4,5-diphenylpentanoate
CID 164684537
(10R)-10-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one
CID 11427786
ethyl (2R,3R)-2-(2-fluorobenzoyl)-3-phenylpent-4-enoate
CID 134955990
(2S,3S)-1,2-bis(2-fluorophenyl)-3,4-dihydroxybutan-1-one
CID 138964659
ethyl (2R,3R)-2-(3-fluorobenzoyl)-3-phenylpent-4-enoate
CID 138974397
ethyl (2R,3R)-2-(4-fluorobenzoyl)-3-phenylpent-4-enoate
CID 138974713

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxan-2-yl)-1,2-bis(4-fluorophenyl)propan-1-one?
The IUPAC name of 3-(1,4-dioxan-2-yl)-1,2-bis(4-fluorophenyl)propan-1-one (CID 162408126) is 3-(1,4-dioxan-2-yl)-1,2-bis(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-(1,4-dioxan-2-yl)-1,2-bis(4-fluorophenyl)propan-1-one?
The canonical SMILES for 3-(1,4-dioxan-2-yl)-1,2-bis(4-fluorophenyl)propan-1-one is O=C(c1ccc(F)cc1)C(CC1COCCO1)c1ccc(F)cc1.
What is the InChIKey of 3-(1,4-dioxan-2-yl)-1,2-bis(4-fluorophenyl)propan-1-one?
The InChIKey is HXUKHGODJVERMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2O3/c20-15-5-1-13(2-6-15)18(11-17-12-23-9-10-24-17)19(22)14-3-7-16(21)8-4-14/h1-8,17-18H,9-12H2.
What are the key properties of 3-(1,4-dioxan-2-yl)-1,2-bis(4-fluorophenyl)propan-1-one?
3-(1,4-dioxan-2-yl)-1,2-bis(4-fluorophenyl)propan-1-one has a molecular weight of 332.35 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxan-2-yl)-1,2-bis(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 162408126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).