bis(1,1,1-trifluoropentan-2-yl) carbonate

C11H16F6O3 — CID 87131829

IUPACbis(1,1,1-trifluoropentan-2-yl) carbonate
SMILESCCCC(OC(=O)OC(CCC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F6O3/c1-3-5-7(10(12,13)14)19-9(18)20-8(6-4-2)11(15,16)17/h7-8H,3-6H2,1-2H3
InChIKeyQFCWBOOJISIZCA-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.60
Rot. Bonds6

About bis(1,1,1-trifluoropentan-2-yl) carbonate

bis(1,1,1-trifluoropentan-2-yl) carbonate (PubChem CID 87131829) has the molecular formula C11H16F6O3 and a molecular weight of 310.23 g/mol. Its IUPAC name is bis(1,1,1-trifluoropentan-2-yl) carbonate.

Molecular Properties

Compound Namebis(1,1,1-trifluoropentan-2-yl) carbonate
PubChem CID87131829
Molecular FormulaC11H16F6O3
Molecular Weight310.23 g/mol
Exact Mass310.10
IUPAC Namebis(1,1,1-trifluoropentan-2-yl) carbonate
SMILESCCCC(OC(=O)OC(CCC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F6O3/c1-3-5-7(10(12,13)14)19-9(18)20-8(6-4-2)11(15,16)17/h7-8H,3-6H2,1-2H3
InChIKeyQFCWBOOJISIZCA-UHFFFAOYSA-N
XLogP4.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,3,3,4,4,5,5-Octafluoropentyl ethyl carbonate
CID 14533042
1-(2-Ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxypentane
CID 19761947
Fluoromethyl 1,1,1-trifluorobutan-2-yl carbonate
CID 23590305
Fluoromethane;1-[1,1,1-trifluoro-2-(fluoromethoxy)propan-2-yl]oxybutane
CID 54385801
Bis(3,3,4,4,4-pentafluorobutan-2-yl) carbonate
CID 56994089
Bis(1,1,1-trifluoropropan-2-yl) carbonate
CID 57226030
Methyl 2,2,3,3-tetrafluoropentyl carbonate
CID 59431017
3-Methoxycarbonyloxypropyl 2,2,3,3-tetrafluoropentyl carbonate
CID 59431018
Bis(2,2-difluorobutyl) carbonate
CID 87127816
Bis(1,1,1-trifluorobutan-2-yl) carbonate
CID 87128150
Bis(6-fluorohexan-3-yl) carbonate
CID 87131876
Bis(5,5,6,6,6-pentafluorohexan-3-yl) carbonate
CID 87131927

Frequently Asked Questions

What is the IUPAC name of bis(1,1,1-trifluoropentan-2-yl) carbonate?
The IUPAC name of bis(1,1,1-trifluoropentan-2-yl) carbonate (CID 87131829) is bis(1,1,1-trifluoropentan-2-yl) carbonate.
What is the SMILES notation for bis(1,1,1-trifluoropentan-2-yl) carbonate?
The canonical SMILES for bis(1,1,1-trifluoropentan-2-yl) carbonate is CCCC(OC(=O)OC(CCC)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(1,1,1-trifluoropentan-2-yl) carbonate?
The InChIKey is QFCWBOOJISIZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6O3/c1-3-5-7(10(12,13)14)19-9(18)20-8(6-4-2)11(15,16)17/h7-8H,3-6H2,1-2H3.
What are the key properties of bis(1,1,1-trifluoropentan-2-yl) carbonate?
bis(1,1,1-trifluoropentan-2-yl) carbonate has a molecular weight of 310.23 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,1-trifluoropentan-2-yl) carbonate is sourced from PubChem (CID 87131829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).