2,2,3,4,4,4-hexafluorobutyl propan-2-yl carbonate

C8H10F6O3 — CID 112758191

IUPAC2,2,3,4,4,4-hexafluorobutyl propan-2-yl carbonate
SMILESCC(C)OC(=O)OCC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C8H10F6O3/c1-4(2)17-6(15)16-3-7(10,11)5(9)8(12,13)14/h4-5H,3H2,1-2H3
InChIKeyXTGDJNNBJLPWJK-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.08
Rot. Bonds4

About 2,2,3,4,4,4-hexafluorobutyl propan-2-yl carbonate

2,2,3,4,4,4-hexafluorobutyl propan-2-yl carbonate (PubChem CID 112758191) has the molecular formula C8H10F6O3 and a molecular weight of 268.15 g/mol. Its IUPAC name is 2,2,3,4,4,4-hexafluorobutyl propan-2-yl carbonate.

Molecular Properties

Compound Name2,2,3,4,4,4-hexafluorobutyl propan-2-yl carbonate
PubChem CID112758191
Molecular FormulaC8H10F6O3
Molecular Weight268.15 g/mol
Exact Mass268.05
IUPAC Name2,2,3,4,4,4-hexafluorobutyl propan-2-yl carbonate
SMILESCC(C)OC(=O)OCC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C8H10F6O3/c1-4(2)17-6(15)16-3-7(10,11)5(9)8(12,13)14/h4-5H,3H2,1-2H3
InChIKeyXTGDJNNBJLPWJK-UHFFFAOYSA-N
XLogP3.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,4,4-hexafluorobutyl propan-2-yl carbonate?
The IUPAC name of 2,2,3,4,4,4-hexafluorobutyl propan-2-yl carbonate (CID 112758191) is 2,2,3,4,4,4-hexafluorobutyl propan-2-yl carbonate.
What is the SMILES notation for 2,2,3,4,4,4-hexafluorobutyl propan-2-yl carbonate?
The canonical SMILES for 2,2,3,4,4,4-hexafluorobutyl propan-2-yl carbonate is CC(C)OC(=O)OCC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 2,2,3,4,4,4-hexafluorobutyl propan-2-yl carbonate?
The InChIKey is XTGDJNNBJLPWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6O3/c1-4(2)17-6(15)16-3-7(10,11)5(9)8(12,13)14/h4-5H,3H2,1-2H3.
What are the key properties of 2,2,3,4,4,4-hexafluorobutyl propan-2-yl carbonate?
2,2,3,4,4,4-hexafluorobutyl propan-2-yl carbonate has a molecular weight of 268.15 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,4,4-hexafluorobutyl propan-2-yl carbonate is sourced from PubChem (CID 112758191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).