bis(1-fluoroethyl) carbonate

C5H8F2O3 — CID 58325584

IUPACbis(1-fluoroethyl) carbonate
SMILESCC(F)OC(=O)OC(C)F
InChIInChI=1S/C5H8F2O3/c1-3(6)9-5(8)10-4(2)7/h3-4H,1-2H3
InChIKeyJKIZUKLNAQCQSX-UHFFFAOYSA-N
MW154.11 g/mol
LogP1.77
Rot. Bonds2

About bis(1-fluoroethyl) carbonate

bis(1-fluoroethyl) carbonate (PubChem CID 58325584) has the molecular formula C5H8F2O3 and a molecular weight of 154.11 g/mol. Its IUPAC name is bis(1-fluoroethyl) carbonate.

Molecular Properties

Compound Namebis(1-fluoroethyl) carbonate
PubChem CID58325584
Molecular FormulaC5H8F2O3
Molecular Weight154.11 g/mol
Exact Mass154.04
IUPAC Namebis(1-fluoroethyl) carbonate
SMILESCC(F)OC(=O)OC(C)F
InChIInChI=1S/C5H8F2O3/c1-3(6)9-5(8)10-4(2)7/h3-4H,1-2H3
InChIKeyJKIZUKLNAQCQSX-UHFFFAOYSA-N
XLogP1.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.11
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diethyl Carbonate
CID 7766
Ethyl methyl carbonate
CID 522046
Methyl 2,2,2-trifluoroethyl carbonate
CID 17761042
Ethyl 2,2,2-trifluoroethyl carbonate
CID 21263423
Ethanol, 2-fluoro-, 1,1'-carbonate
CID 9840
Ethyl 2,2,3,3-tetrafluoropropyl carbonate
CID 42634538
1-Fluoroethyl methyl carbonate
CID 11586304
Bis((~13~C_2_)ethyl) (~13~C)carbonate
CID 71309515
Ethan-d5-ol, carbonate (2:1) (9CI); Carbonic acid di(ethyl-d5) ester; Carbonic acid diethyl ester-d10; Diethyl carbonate-d10; Ethyl carbonate-d10; Diethyl-d10 Carbonate
CID 117064671
1-Fluoroethyl 2-methoxyethyl carbonate
CID 118690350
1-Fluoroethyl propyl carbonate
CID 150572044
Carbonic acid, 2,2-difluoroethyl ethyl ester
CID 15985039

Frequently Asked Questions

What is the IUPAC name of bis(1-fluoroethyl) carbonate?
The IUPAC name of bis(1-fluoroethyl) carbonate (CID 58325584) is bis(1-fluoroethyl) carbonate.
What is the SMILES notation for bis(1-fluoroethyl) carbonate?
The canonical SMILES for bis(1-fluoroethyl) carbonate is CC(F)OC(=O)OC(C)F.
What is the InChIKey of bis(1-fluoroethyl) carbonate?
The InChIKey is JKIZUKLNAQCQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O3/c1-3(6)9-5(8)10-4(2)7/h3-4H,1-2H3.
What are the key properties of bis(1-fluoroethyl) carbonate?
bis(1-fluoroethyl) carbonate has a molecular weight of 154.11 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-fluoroethyl) carbonate is sourced from PubChem (CID 58325584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).