2-(2-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine

C10H9FO2 — CID 57454155

IUPAC2-(2-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine
SMILESFC1=C(C2=COC=CO2)CCC=C1
InChIInChI=1S/C10H9FO2/c11-9-4-2-1-3-8(9)10-7-12-5-6-13-10/h2,4-7H,1,3H2
InChIKeyYWMLRMARFNFAML-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.92
Rot. Bonds1

About 2-(2-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine

2-(2-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine (PubChem CID 57454155) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is 2-(2-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine.

Molecular Properties

Compound Name2-(2-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine
PubChem CID57454155
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name2-(2-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine
SMILESFC1=C(C2=COC=CO2)CCC=C1
InChIInChI=1S/C10H9FO2/c11-9-4-2-1-3-8(9)10-7-12-5-6-13-10/h2,4-7H,1,3H2
InChIKeyYWMLRMARFNFAML-UHFFFAOYSA-N
XLogP2.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 87554976
7,8-Dihydrochromene
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1H-Dibenzo(b,d)pyran
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2-(3-Fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine
CID 57454156
2-(2-Bromo-3-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine
CID 67970873
(8E)-8-(fluoromethylidene)-2,3,4,5-tetrahydrochromene
CID 69346340
2-(5,5,6,6-Tetrafluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine
CID 87538226
8-fluoro-3,5-dihydro-2H-chromene
CID 90093016
1-Fluoro-4-(methoxymethyl)cyclohexa-1,3-diene
CID 123947062
7-fluoro-3,4,7,8-tetrahydro-2H-chromene
CID 129210684
(2Z)-2-(1-fluoroprop-2-enylidene)-3-methylideneoxane
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CID 134289672

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine?
The IUPAC name of 2-(2-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine (CID 57454155) is 2-(2-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine.
What is the SMILES notation for 2-(2-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine?
The canonical SMILES for 2-(2-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine is FC1=C(C2=COC=CO2)CCC=C1.
What is the InChIKey of 2-(2-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine?
The InChIKey is YWMLRMARFNFAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c11-9-4-2-1-3-8(9)10-7-12-5-6-13-10/h2,4-7H,1,3H2.
What are the key properties of 2-(2-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine?
2-(2-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine has a molecular weight of 180.18 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine is sourced from PubChem (CID 57454155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).