4,5-diethyl-4-fluoro-1,3-dioxolan-2-one

C7H11FO3 — CID 67207946

IUPAC4,5-diethyl-4-fluoro-1,3-dioxolan-2-one
SMILESCCC1OC(=O)OC1(F)CC
InChIInChI=1S/C7H11FO3/c1-3-5-7(8,4-2)11-6(9)10-5/h5H,3-4H2,1-2H3
InChIKeyOBGIKXKKRWPWFJ-UHFFFAOYSA-N
MW162.16 g/mol
LogP2.01
Rot. Bonds2

About 4,5-diethyl-4-fluoro-1,3-dioxolan-2-one

4,5-diethyl-4-fluoro-1,3-dioxolan-2-one (PubChem CID 67207946) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is 4,5-diethyl-4-fluoro-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4,5-diethyl-4-fluoro-1,3-dioxolan-2-one
PubChem CID67207946
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name4,5-diethyl-4-fluoro-1,3-dioxolan-2-one
SMILESCCC1OC(=O)OC1(F)CC
InChIInChI=1S/C7H11FO3/c1-3-5-7(8,4-2)11-6(9)10-5/h5H,3-4H2,1-2H3
InChIKeyOBGIKXKKRWPWFJ-UHFFFAOYSA-N
XLogP2.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Butylene carbonate
CID 107282
CID 7015599
CID 7015599
4-Butyl-1,3-dioxolan-2-one
CID 14475587
(4R)-4-ethyl-1,3-dioxolan-2-one
CID 7168186
4-Propyl-1,3-dioxolan-2-one
CID 13751606
4-Fluoro-5-methyl-1,3-dioxolan-2-one
CID 17876708
4-(1-Fluoropropyl)-1,3-dioxolan-2-one
CID 18413645
4-(1-Fluoroethyl)-1,3-dioxolan-2-one
CID 18413646
4-(1-Fluorobutyl)-1,3-dioxolan-2-one
CID 18413651
4-(Fluoromethyl)-5-methyl-1,3-dioxolan-2-one
CID 18413661
5-Ethyl-4,4-difluoro-1,3-dioxolan-2-one
CID 45090541
(4R,5S)-4,5-diethyl-4,5-difluoro-1,3-dioxolan-2-one
CID 58100389

Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-4-fluoro-1,3-dioxolan-2-one?
The IUPAC name of 4,5-diethyl-4-fluoro-1,3-dioxolan-2-one (CID 67207946) is 4,5-diethyl-4-fluoro-1,3-dioxolan-2-one.
What is the SMILES notation for 4,5-diethyl-4-fluoro-1,3-dioxolan-2-one?
The canonical SMILES for 4,5-diethyl-4-fluoro-1,3-dioxolan-2-one is CCC1OC(=O)OC1(F)CC.
What is the InChIKey of 4,5-diethyl-4-fluoro-1,3-dioxolan-2-one?
The InChIKey is OBGIKXKKRWPWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO3/c1-3-5-7(8,4-2)11-6(9)10-5/h5H,3-4H2,1-2H3.
What are the key properties of 4,5-diethyl-4-fluoro-1,3-dioxolan-2-one?
4,5-diethyl-4-fluoro-1,3-dioxolan-2-one has a molecular weight of 162.16 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-4-fluoro-1,3-dioxolan-2-one is sourced from PubChem (CID 67207946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).