4-(1-fluoroethyl)-1,3-dioxetan-2-one

C4H5FO3 — CID 175470122

IUPAC4-(1-fluoroethyl)-1,3-dioxetan-2-one
SMILESCC(F)C1OC(=O)O1
InChIInChI=1S/C4H5FO3/c1-2(5)3-7-4(6)8-3/h2-3H,1H3
InChIKeyPPIYIIQCBURDRR-UHFFFAOYSA-N
MW120.08 g/mol
LogP0.84
Rot. Bonds1

About 4-(1-fluoroethyl)-1,3-dioxetan-2-one

4-(1-fluoroethyl)-1,3-dioxetan-2-one (PubChem CID 175470122) has the molecular formula C4H5FO3 and a molecular weight of 120.08 g/mol. Its IUPAC name is 4-(1-fluoroethyl)-1,3-dioxetan-2-one.

Molecular Properties

Compound Name4-(1-fluoroethyl)-1,3-dioxetan-2-one
PubChem CID175470122
Molecular FormulaC4H5FO3
Molecular Weight120.08 g/mol
Exact Mass120.02
IUPAC Name4-(1-fluoroethyl)-1,3-dioxetan-2-one
SMILESCC(F)C1OC(=O)O1
InChIInChI=1S/C4H5FO3/c1-2(5)3-7-4(6)8-3/h2-3H,1H3
InChIKeyPPIYIIQCBURDRR-UHFFFAOYSA-N
XLogP0.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.08
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,6R)-4,6-di(propan-2-yl)-1,3-dioxan-2-one
CID 59787451
(4S,5S)-4,5-bis(2-methylpropyl)-1,3-dioxolan-2-one
CID 131845339
(4R,5S)-4-tert-butyl-5-propan-2-yl-1,3-dioxolan-2-one
CID 135210558
(4S,5R)-4,5-ditert-butyl-1,3-dioxolan-2-one
CID 58446547
4-(difluoromethyl)-5-fluoro-4-methyl-1,3-dioxolan-2-one
CID 151184122
5-ethyl-2-propan-2-yl-1,3-dioxolan-4-one
CID 73236280
4-[(1R)-1-fluoroethyl]-1,3-oxazolidin-2-one
CID 139507497
4,5-dimethyl-1,3-dioxolan-2-one;2,2,3-trifluoro-3-methylbutane
CID 160909763
2-propan-2-yl-1,3-dioxolan-4-one
CID 11819105
(4S)-4-propan-2-yloxetan-2-one
CID 11126218
4-amino-5-methyl-1,3-dioxolan-2-one
CID 67944601
(2S,4R)-4-fluoro-2-propan-2-yl-1,3-oxathiolan-5-one
CID 10607107

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethyl)-1,3-dioxetan-2-one?
The IUPAC name of 4-(1-fluoroethyl)-1,3-dioxetan-2-one (CID 175470122) is 4-(1-fluoroethyl)-1,3-dioxetan-2-one.
What is the SMILES notation for 4-(1-fluoroethyl)-1,3-dioxetan-2-one?
The canonical SMILES for 4-(1-fluoroethyl)-1,3-dioxetan-2-one is CC(F)C1OC(=O)O1.
What is the InChIKey of 4-(1-fluoroethyl)-1,3-dioxetan-2-one?
The InChIKey is PPIYIIQCBURDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO3/c1-2(5)3-7-4(6)8-3/h2-3H,1H3.
What are the key properties of 4-(1-fluoroethyl)-1,3-dioxetan-2-one?
4-(1-fluoroethyl)-1,3-dioxetan-2-one has a molecular weight of 120.08 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethyl)-1,3-dioxetan-2-one is sourced from PubChem (CID 175470122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).