1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one

C6H7FO6 — CID 157198471

IUPAC1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one
SMILESO=C1OCC(F)O1.O=C1OCCO1
InChIInChI=1S/C3H3FO3.C3H4O3/c4-2-1-6-3(5)7-2;4-3-5-1-2-6-3/h2H,1H2;1-2H2
InChIKeyAQNHDRXYMSWXQP-UHFFFAOYSA-N
MW194.11 g/mol
LogP0.60
Rot. Bonds

About 1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one

1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one (PubChem CID 157198471) has the molecular formula C6H7FO6 and a molecular weight of 194.11 g/mol. Its IUPAC name is 1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one.

Molecular Properties

Compound Name1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one
PubChem CID157198471
Molecular FormulaC6H7FO6
Molecular Weight194.11 g/mol
Exact Mass194.02
IUPAC Name1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one
SMILESO=C1OCC(F)O1.O=C1OCCO1
InChIInChI=1S/C3H3FO3.C3H4O3/c4-2-1-6-3(5)7-2;4-3-5-1-2-6-3/h2H,1H2;1-2H2
InChIKeyAQNHDRXYMSWXQP-UHFFFAOYSA-N
XLogP0.60
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 172774171
CID 172774171
1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide;4-fluoro-1,3-dioxolan-2-one
CID 175563848
4,4-dibromo-1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one
CID 67442671
1,3-dioxolan-2-one
CID 7303
carbonic acid;dimethyl carbonate;ethene;4-fluoro-1,3-dioxolan-2-one
CID 69479472
1,3-dioxolan-2-one;4-ethenyl-1,3-dioxolan-2-one;hydrofluoride
CID 175258508
(2-oxo-1,3-dioxolan-4-yl) hypofluorite
CID 118636639
adamantane;1,3-dioxolan-2-one
CID 175094584
lithium;1,3-dioxolan-2-one;hexafluorophosphate
CID 146442279
1,3-dioxolan-2-one;methoxymethane;hydrochloride
CID 173350365
ethyl methyl carbonate;4-fluoro-1,3-dioxolan-2-one;fluoroethene
CID 162241357
dimethyl carbonate;1,3-dioxolan-2-one;ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one
CID 174559201

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one?
The IUPAC name of 1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one (CID 157198471) is 1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one.
What is the SMILES notation for 1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one?
The canonical SMILES for 1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one is O=C1OCC(F)O1.O=C1OCCO1.
What is the InChIKey of 1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one?
The InChIKey is AQNHDRXYMSWXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3FO3.C3H4O3/c4-2-1-6-3(5)7-2;4-3-5-1-2-6-3/h2H,1H2;1-2H2.
What are the key properties of 1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one?
1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one has a molecular weight of 194.11 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one is sourced from PubChem (CID 157198471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).