(2,3-difluorophenyl)-(dioxan-4-yl)methanone

C11H10F2O3 — CID 175219580

IUPAC(2,3-difluorophenyl)-(dioxan-4-yl)methanone
SMILESO=C(c1cccc(F)c1F)C1CCOOC1
InChIInChI=1S/C11H10F2O3/c12-9-3-1-2-8(10(9)13)11(14)7-4-5-15-16-6-7/h1-3,7H,4-6H2
InChIKeyBJJFNCROZAGKPR-UHFFFAOYSA-N
MW228.19 g/mol
LogP2.12
Rot. Bonds2

About (2,3-difluorophenyl)-(dioxan-4-yl)methanone

(2,3-difluorophenyl)-(dioxan-4-yl)methanone (PubChem CID 175219580) has the molecular formula C11H10F2O3 and a molecular weight of 228.19 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(dioxan-4-yl)methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(dioxan-4-yl)methanone
PubChem CID175219580
Molecular FormulaC11H10F2O3
Molecular Weight228.19 g/mol
Exact Mass228.06
IUPAC Name(2,3-difluorophenyl)-(dioxan-4-yl)methanone
SMILESO=C(c1cccc(F)c1F)C1CCOOC1
InChIInChI=1S/C11H10F2O3/c12-9-3-1-2-8(10(9)13)11(14)7-4-5-15-16-6-7/h1-3,7H,4-6H2
InChIKeyBJJFNCROZAGKPR-UHFFFAOYSA-N
XLogP2.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
(2-bromo-3,4-difluorophenyl)-(oxolan-3-yl)methanone
CID 107538180
cyclopropyl-(2-fluorophenyl)methanone
CID 22750154
cyclopropyl-(2-fluoro-3-methylphenyl)methanone
CID 70266703
2,3-difluorobenzoyl bromide
CID 91168195
(2-bromo-3-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787330
(2,3-difluorophenyl)-(2,2-dimethylcyclopentyl)methanone
CID 107186982
(2,3-difluorophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102652719
oxolan-3-ylmethyl 2,3-difluorobenzoate
CID 62865708
1-(2,3-difluorobenzoyl)piperidine-4-carboxylic acid
CID 62650616
cyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone
CID 62648905
2-(cyclopropanecarbonyl)-6-fluorobenzonitrile
CID 130136989

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(dioxan-4-yl)methanone?
The IUPAC name of (2,3-difluorophenyl)-(dioxan-4-yl)methanone (CID 175219580) is (2,3-difluorophenyl)-(dioxan-4-yl)methanone.
What is the SMILES notation for (2,3-difluorophenyl)-(dioxan-4-yl)methanone?
The canonical SMILES for (2,3-difluorophenyl)-(dioxan-4-yl)methanone is O=C(c1cccc(F)c1F)C1CCOOC1.
What is the InChIKey of (2,3-difluorophenyl)-(dioxan-4-yl)methanone?
The InChIKey is BJJFNCROZAGKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O3/c12-9-3-1-2-8(10(9)13)11(14)7-4-5-15-16-6-7/h1-3,7H,4-6H2.
What are the key properties of (2,3-difluorophenyl)-(dioxan-4-yl)methanone?
(2,3-difluorophenyl)-(dioxan-4-yl)methanone has a molecular weight of 228.19 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(dioxan-4-yl)methanone is sourced from PubChem (CID 175219580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).