ethyl 1-fluoroethyl carbonate

C5H9FO3 — CID 11491942

IUPACethyl 1-fluoroethyl carbonate
SMILESCCOC(=O)OC(C)F
InChIInChI=1S/C5H9FO3/c1-3-8-5(7)9-4(2)6/h4H,3H2,1-2H3
InChIKeyYNPMWBJZZYCWEM-UHFFFAOYSA-N
MW136.12 g/mol
LogP1.48
Rot. Bonds2

About ethyl 1-fluoroethyl carbonate

ethyl 1-fluoroethyl carbonate (PubChem CID 11491942) has the molecular formula C5H9FO3 and a molecular weight of 136.12 g/mol. Its IUPAC name is ethyl 1-fluoroethyl carbonate.

Molecular Properties

Compound Nameethyl 1-fluoroethyl carbonate
PubChem CID11491942
Molecular FormulaC5H9FO3
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Nameethyl 1-fluoroethyl carbonate
SMILESCCOC(=O)OC(C)F
InChIInChI=1S/C5H9FO3/c1-3-8-5(7)9-4(2)6/h4H,3H2,1-2H3
InChIKeyYNPMWBJZZYCWEM-UHFFFAOYSA-N
XLogP1.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-fluoroethoxycarbonyloxy)propyl 1-fluoroethyl carbonate
CID 118860519
ethyl 1-propan-2-yloxyethyl carbonate
CID 118149585
ethyl 2-methylpentan-3-yl carbonate
CID 23451734
1-cyclopropylethyl ethyl carbonate
CID 173016533
but-3-en-2-yl ethyl carbonate
CID 11137281
ethyl 4-hydroxypentan-2-yl carbonate
CID 131742457
CID 175796855
CID 175796855
3,3-dichlorobutan-2-yl ethyl carbonate
CID 71338645
ethyl [1-oxo-1-(propan-2-ylamino)propan-2-yl] carbonate
CID 176773342
methyl 2-amino-2-ethoxycarbonyloxyacetate
CID 134425335
diethyl 2,3-difluorobutanedioate
CID 12868425
ethyl fluoro carbonate
CID 18542699

Frequently Asked Questions

What is the IUPAC name of ethyl 1-fluoroethyl carbonate?
The IUPAC name of ethyl 1-fluoroethyl carbonate (CID 11491942) is ethyl 1-fluoroethyl carbonate.
What is the SMILES notation for ethyl 1-fluoroethyl carbonate?
The canonical SMILES for ethyl 1-fluoroethyl carbonate is CCOC(=O)OC(C)F.
What is the InChIKey of ethyl 1-fluoroethyl carbonate?
The InChIKey is YNPMWBJZZYCWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO3/c1-3-8-5(7)9-4(2)6/h4H,3H2,1-2H3.
What are the key properties of ethyl 1-fluoroethyl carbonate?
ethyl 1-fluoroethyl carbonate has a molecular weight of 136.12 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-fluoroethyl carbonate is sourced from PubChem (CID 11491942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).