5-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1,4-dioxine

C11H10F2O2 — CID 174914075

IUPAC5-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1,4-dioxine
SMILESFc1cccc(F)c1CC1=COCCO1
InChIInChI=1S/C11H10F2O2/c12-10-2-1-3-11(13)9(10)6-8-7-14-4-5-15-8/h1-3,7H,4-6H2
InChIKeyUWURPVSXMWYVRE-UHFFFAOYSA-N
MW212.19 g/mol
LogP2.40
Rot. Bonds2

About 5-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1,4-dioxine

5-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1,4-dioxine (PubChem CID 174914075) has the molecular formula C11H10F2O2 and a molecular weight of 212.19 g/mol. Its IUPAC name is 5-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1,4-dioxine.

Molecular Properties

Compound Name5-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1,4-dioxine
PubChem CID174914075
Molecular FormulaC11H10F2O2
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Name5-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1,4-dioxine
SMILESFc1cccc(F)c1CC1=COCCO1
InChIInChI=1S/C11H10F2O2/c12-10-2-1-3-11(13)9(10)6-8-7-14-4-5-15-8/h1-3,7H,4-6H2
InChIKeyUWURPVSXMWYVRE-UHFFFAOYSA-N
XLogP2.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene
CID 15013079
2,3-dihydro-1,4-dioxin-5-ylmethanol
CID 50990670
5-(methylsulfanylmethyl)-2,3-dihydro-1,4-dioxine
CID 89175199
2-(bromomethyl)-1,3-difluorobenzene;hydrochloride
CID 175540499
1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)pyrazole
CID 175920419
2-(2-ethyl-3-fluorophenyl)-1,3-dioxolane
CID 169081956
5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 122156846
2-[(2,6-difluorophenyl)methyl]oxirane
CID 115410452
N-chloro-1-(2,6-difluorophenyl)methanamine
CID 126658076
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2127756
2,3-dihydro-1,4-dioxin-5-ylmethylurea
CID 130620102
3-[(2,6-difluorophenyl)methyl]-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 129349220

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1,4-dioxine?
The IUPAC name of 5-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1,4-dioxine (CID 174914075) is 5-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1,4-dioxine.
What is the SMILES notation for 5-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1,4-dioxine?
The canonical SMILES for 5-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1,4-dioxine is Fc1cccc(F)c1CC1=COCCO1.
What is the InChIKey of 5-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1,4-dioxine?
The InChIKey is UWURPVSXMWYVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O2/c12-10-2-1-3-11(13)9(10)6-8-7-14-4-5-15-8/h1-3,7H,4-6H2.
What are the key properties of 5-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1,4-dioxine?
5-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1,4-dioxine has a molecular weight of 212.19 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1,4-dioxine is sourced from PubChem (CID 174914075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).