3-(1-fluoroethoxycarbonyloxy)propyl 1-fluoroethyl carbonate

C9H14F2O6 — CID 118860519

IUPAC3-(1-fluoroethoxycarbonyloxy)propyl 1-fluoroethyl carbonate
SMILESCC(F)OC(=O)OCCCOC(=O)OC(C)F
InChIInChI=1S/C9H14F2O6/c1-6(10)16-8(12)14-4-3-5-15-9(13)17-7(2)11/h6-7H,3-5H2,1-2H3
InChIKeyUGCYBRIYLDCPPM-UHFFFAOYSA-N
MW256.20 g/mol
LogP2.31
Rot. Bonds6

About 3-(1-fluoroethoxycarbonyloxy)propyl 1-fluoroethyl carbonate

3-(1-fluoroethoxycarbonyloxy)propyl 1-fluoroethyl carbonate (PubChem CID 118860519) has the molecular formula C9H14F2O6 and a molecular weight of 256.20 g/mol. Its IUPAC name is 3-(1-fluoroethoxycarbonyloxy)propyl 1-fluoroethyl carbonate.

Molecular Properties

Compound Name3-(1-fluoroethoxycarbonyloxy)propyl 1-fluoroethyl carbonate
PubChem CID118860519
Molecular FormulaC9H14F2O6
Molecular Weight256.20 g/mol
Exact Mass256.08
IUPAC Name3-(1-fluoroethoxycarbonyloxy)propyl 1-fluoroethyl carbonate
SMILESCC(F)OC(=O)OCCCOC(=O)OC(C)F
InChIInChI=1S/C9H14F2O6/c1-6(10)16-8(12)14-4-3-5-15-9(13)17-7(2)11/h6-7H,3-5H2,1-2H3
InChIKeyUGCYBRIYLDCPPM-UHFFFAOYSA-N
XLogP2.31
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-fluoroethyl carbonate
CID 11491942
[(2S)-butan-2-yl] 3-fluoropropyl carbonate
CID 99769683
6-chlorohexyl propan-2-yl carbonate
CID 107708041
[(2R)-butan-2-yl] pentyl carbonate
CID 87213019
8-methylnonyl propan-2-yl carbonate
CID 174595196
butan-2-yl nonyl carbonate
CID 135224877
dodecyl 3-methylbutan-2-yl carbonate
CID 58052212
7-methoxycarbonyloxyheptyl methyl carbonate
CID 162779746
6-methoxycarbonyloxyhexyl methyl carbonate
CID 20656357
butyl pentan-3-yl carbonate
CID 155213116
difluoromethyl 2-fluoroethyl carbonate
CID 87091095
butyl 3-ethoxybutan-2-yl carbonate
CID 87247453

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethoxycarbonyloxy)propyl 1-fluoroethyl carbonate?
The IUPAC name of 3-(1-fluoroethoxycarbonyloxy)propyl 1-fluoroethyl carbonate (CID 118860519) is 3-(1-fluoroethoxycarbonyloxy)propyl 1-fluoroethyl carbonate.
What is the SMILES notation for 3-(1-fluoroethoxycarbonyloxy)propyl 1-fluoroethyl carbonate?
The canonical SMILES for 3-(1-fluoroethoxycarbonyloxy)propyl 1-fluoroethyl carbonate is CC(F)OC(=O)OCCCOC(=O)OC(C)F.
What is the InChIKey of 3-(1-fluoroethoxycarbonyloxy)propyl 1-fluoroethyl carbonate?
The InChIKey is UGCYBRIYLDCPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O6/c1-6(10)16-8(12)14-4-3-5-15-9(13)17-7(2)11/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-(1-fluoroethoxycarbonyloxy)propyl 1-fluoroethyl carbonate?
3-(1-fluoroethoxycarbonyloxy)propyl 1-fluoroethyl carbonate has a molecular weight of 256.20 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethoxycarbonyloxy)propyl 1-fluoroethyl carbonate is sourced from PubChem (CID 118860519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).