2-[4-(3,4-difluorophenyl)phenyl]-5-(3-fluoropropyl)-1,3-dioxane

C19H19F3O2 — CID 15180851

IUPAC2-[4-(3,4-difluorophenyl)phenyl]-5-(3-fluoropropyl)-1,3-dioxane
SMILESFCCCC1COC(c2ccc(-c3ccc(F)c(F)c3)cc2)OC1
InChIInChI=1S/C19H19F3O2/c20-9-1-2-13-11-23-19(24-12-13)15-5-3-14(4-6-15)16-7-8-17(21)18(22)10-16/h3-8,10,13,19H,1-2,9,11-12H2
InChIKeyQTTSQNKVGWRNDP-UHFFFAOYSA-N
MW336.35 g/mol
LogP5.04
Rot. Bonds5

About 2-[4-(3,4-difluorophenyl)phenyl]-5-(3-fluoropropyl)-1,3-dioxane

2-[4-(3,4-difluorophenyl)phenyl]-5-(3-fluoropropyl)-1,3-dioxane (PubChem CID 15180851) has the molecular formula C19H19F3O2 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-[4-(3,4-difluorophenyl)phenyl]-5-(3-fluoropropyl)-1,3-dioxane.

Molecular Properties

Compound Name2-[4-(3,4-difluorophenyl)phenyl]-5-(3-fluoropropyl)-1,3-dioxane
PubChem CID15180851
Molecular FormulaC19H19F3O2
Molecular Weight336.35 g/mol
Exact Mass336.13
IUPAC Name2-[4-(3,4-difluorophenyl)phenyl]-5-(3-fluoropropyl)-1,3-dioxane
SMILESFCCCC1COC(c2ccc(-c3ccc(F)c(F)c3)cc2)OC1
InChIInChI=1S/C19H19F3O2/c20-9-1-2-13-11-23-19(24-12-13)15-5-3-14(4-6-15)16-7-8-17(21)18(22)10-16/h3-8,10,13,19H,1-2,9,11-12H2
InChIKeyQTTSQNKVGWRNDP-UHFFFAOYSA-N
XLogP5.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.35
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-Dibenzyloxy-2-phenylethane
CID 95980
3,9-Diphenyl-2,4,8,10-tetraoxaspiro[5.5]undecane
CID 241146
2,4,6-Triphenyl-1,3-dioxane
CID 568919
Benzene, 1-(dimethoxymethyl)-4-(1-methylethyl)-
CID 105591
1,3-Dioxane, 4,4-dimethyl-2,6-diphenyl-
CID 53425980
3,9-Bis(4-methylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
CID 748575
trans-5-Butyl-2-(3',3'',4'',5''-tetrafluoro-1,1':4',1''-terphenyl-4-yl)-1,3-dioxane
CID 132042669
Orthobenzoic acid, p-fluoro-, cyclic ester with 2-cyclohexyl-2-(hydroxymethyl)-1,3-propanediol
CID 175730
2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(3-fluorophenyl)-
CID 3076502
2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(2-fluorophenyl)-
CID 3076503
2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(4-fluorophenyl)-
CID 3076518
Benzene, 1,1'-[(phenylmethylene)bis(oxymethylene)]bis-
CID 12272857

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-difluorophenyl)phenyl]-5-(3-fluoropropyl)-1,3-dioxane?
The IUPAC name of 2-[4-(3,4-difluorophenyl)phenyl]-5-(3-fluoropropyl)-1,3-dioxane (CID 15180851) is 2-[4-(3,4-difluorophenyl)phenyl]-5-(3-fluoropropyl)-1,3-dioxane.
What is the SMILES notation for 2-[4-(3,4-difluorophenyl)phenyl]-5-(3-fluoropropyl)-1,3-dioxane?
The canonical SMILES for 2-[4-(3,4-difluorophenyl)phenyl]-5-(3-fluoropropyl)-1,3-dioxane is FCCCC1COC(c2ccc(-c3ccc(F)c(F)c3)cc2)OC1.
What is the InChIKey of 2-[4-(3,4-difluorophenyl)phenyl]-5-(3-fluoropropyl)-1,3-dioxane?
The InChIKey is QTTSQNKVGWRNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3O2/c20-9-1-2-13-11-23-19(24-12-13)15-5-3-14(4-6-15)16-7-8-17(21)18(22)10-16/h3-8,10,13,19H,1-2,9,11-12H2.
What are the key properties of 2-[4-(3,4-difluorophenyl)phenyl]-5-(3-fluoropropyl)-1,3-dioxane?
2-[4-(3,4-difluorophenyl)phenyl]-5-(3-fluoropropyl)-1,3-dioxane has a molecular weight of 336.35 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-difluorophenyl)phenyl]-5-(3-fluoropropyl)-1,3-dioxane is sourced from PubChem (CID 15180851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).