[2,3-bis(trifluoromethylsulfonyl)cyclopropyl] ethyl carbonate

C8H8F6O7S2 — CID 89179123

IUPAC[2,3-bis(trifluoromethylsulfonyl)cyclopropyl] ethyl carbonate
SMILESCCOC(=O)OC1C(S(=O)(=O)C(F)(F)F)C1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H8F6O7S2/c1-2-20-6(15)21-3-4(22(16,17)7(9,10)11)5(3)23(18,19)8(12,13)14/h3-5H,2H2,1H3
InChIKeyUBTNWHLUSWNEQN-UHFFFAOYSA-N
MW394.27 g/mol
LogP1.15
Rot. Bonds4

About [2,3-bis(trifluoromethylsulfonyl)cyclopropyl] ethyl carbonate

[2,3-bis(trifluoromethylsulfonyl)cyclopropyl] ethyl carbonate (PubChem CID 89179123) has the molecular formula C8H8F6O7S2 and a molecular weight of 394.27 g/mol. Its IUPAC name is [2,3-bis(trifluoromethylsulfonyl)cyclopropyl] ethyl carbonate.

Molecular Properties

Compound Name[2,3-bis(trifluoromethylsulfonyl)cyclopropyl] ethyl carbonate
PubChem CID89179123
Molecular FormulaC8H8F6O7S2
Molecular Weight394.27 g/mol
Exact Mass393.96
IUPAC Name[2,3-bis(trifluoromethylsulfonyl)cyclopropyl] ethyl carbonate
SMILESCCOC(=O)OC1C(S(=O)(=O)C(F)(F)F)C1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H8F6O7S2/c1-2-20-6(15)21-3-4(22(16,17)7(9,10)11)5(3)23(18,19)8(12,13)14/h3-5H,2H2,1H3
InChIKeyUBTNWHLUSWNEQN-UHFFFAOYSA-N
XLogP1.15
TPSA103.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl [2,3,4,5-tetrakis(ethoxycarbonyloxy)-6-methoxycyclohexyl] carbonate
CID 118203008
ethyl (4-methylsulfonylcyclohexyl) carbonate
CID 142152109
[(1S,4R)-4-ethoxycarbonyloxycyclopent-2-en-1-yl] ethyl carbonate
CID 10514412
CID 175796855
CID 175796855
ethyl fluoro carbonate
CID 18542699
ethyl [4-(4-pentylcyclohexyl)cyclohexyl] carbonate
CID 70479320
bis(1,1,2,2,2-pentafluoroethyl) carbonate;ethyl 1,1,2,2,2-pentafluoroethyl carbonate
CID 161279187
ethyl 3,3,3-trifluoropropyl carbonate
CID 134583803
magnesium;diethyl carbonate;hydride
CID 173249173
acetylene;diethyl carbonate
CID 87073597
[2,4-bis(ethoxycarbonyloxy)cyclohexyl] ethyl carbonate
CID 23066426
[(1R,2S)-2-aminocyclohexyl] ethyl carbonate
CID 70041811

Frequently Asked Questions

What is the IUPAC name of [2,3-bis(trifluoromethylsulfonyl)cyclopropyl] ethyl carbonate?
The IUPAC name of [2,3-bis(trifluoromethylsulfonyl)cyclopropyl] ethyl carbonate (CID 89179123) is [2,3-bis(trifluoromethylsulfonyl)cyclopropyl] ethyl carbonate.
What is the SMILES notation for [2,3-bis(trifluoromethylsulfonyl)cyclopropyl] ethyl carbonate?
The canonical SMILES for [2,3-bis(trifluoromethylsulfonyl)cyclopropyl] ethyl carbonate is CCOC(=O)OC1C(S(=O)(=O)C(F)(F)F)C1S(=O)(=O)C(F)(F)F.
What is the InChIKey of [2,3-bis(trifluoromethylsulfonyl)cyclopropyl] ethyl carbonate?
The InChIKey is UBTNWHLUSWNEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6O7S2/c1-2-20-6(15)21-3-4(22(16,17)7(9,10)11)5(3)23(18,19)8(12,13)14/h3-5H,2H2,1H3.
What are the key properties of [2,3-bis(trifluoromethylsulfonyl)cyclopropyl] ethyl carbonate?
[2,3-bis(trifluoromethylsulfonyl)cyclopropyl] ethyl carbonate has a molecular weight of 394.27 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(trifluoromethylsulfonyl)cyclopropyl] ethyl carbonate is sourced from PubChem (CID 89179123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).