[(3R)-2,2,3,4,4,4-hexafluorobutyl] propyl carbonate

C8H10F6O3 — CID 99769633

IUPAC[(3R)-2,2,3,4,4,4-hexafluorobutyl] propyl carbonate
SMILESCCCOC(=O)OCC(F)(F)[C@@H](F)C(F)(F)F
InChIInChI=1S/C8H10F6O3/c1-2-3-16-6(15)17-4-7(10,11)5(9)8(12,13)14/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyJJXVWCQFGQLWAC-RXMQYKEDSA-N
MW268.15 g/mol
LogP3.09
Rot. Bonds5

About [(3R)-2,2,3,4,4,4-hexafluorobutyl] propyl carbonate

[(3R)-2,2,3,4,4,4-hexafluorobutyl] propyl carbonate (PubChem CID 99769633) has the molecular formula C8H10F6O3 and a molecular weight of 268.15 g/mol. Its IUPAC name is [(3R)-2,2,3,4,4,4-hexafluorobutyl] propyl carbonate.

Molecular Properties

Compound Name[(3R)-2,2,3,4,4,4-hexafluorobutyl] propyl carbonate
PubChem CID99769633
Molecular FormulaC8H10F6O3
Molecular Weight268.15 g/mol
Exact Mass268.05
IUPAC Name[(3R)-2,2,3,4,4,4-hexafluorobutyl] propyl carbonate
SMILESCCCOC(=O)OCC(F)(F)[C@@H](F)C(F)(F)F
InChIInChI=1S/C8H10F6O3/c1-2-3-16-6(15)17-4-7(10,11)5(9)8(12,13)14/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyJJXVWCQFGQLWAC-RXMQYKEDSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

butyl 2,2,3,4,4,4-hexafluorobutyl carbonate
CID 112758192
2,2,3,4,4,4-hexafluorobutyl propan-2-yl carbonate
CID 112758191
[(2S)-butan-2-yl] [(3S)-2,2,3,4,4,4-hexafluorobutyl] carbonate
CID 99769689
2,2,3,4,4,4-hexafluorobutyl carbonochloridate
CID 112758175
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl [(3R)-2,2,3,4,4,4-hexafluorobutyl] carbonate
CID 99769610
1-O-(2,2,3,4,4,4-hexafluorobutyl) 3-O-pentadecyl 2,2-diethylpropanedioate
CID 91741855
2,2,3,4,4,4-hexafluorobutyl N-hexylcarbamate
CID 88898261
propyl [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl] carbonate;tetramethylsilane
CID 91369761
[(3S)-2,2,3,4,4,4-hexafluorobutyl] (E)-but-2-enoate
CID 98041605
1-O-heptyl 4-O-(2,2,3,4,4,4-hexafluorobutyl) benzene-1,4-dicarboxylate
CID 91742160
1-O-(2,2,3,4,4,4-hexafluorobutyl) 4-O-(2,2,3,3-tetrafluoropropyl) butanedioate
CID 91739714
(3-hydroxy-2,2-dimethylpropyl) propyl carbonate
CID 18991113

Frequently Asked Questions

What is the IUPAC name of [(3R)-2,2,3,4,4,4-hexafluorobutyl] propyl carbonate?
The IUPAC name of [(3R)-2,2,3,4,4,4-hexafluorobutyl] propyl carbonate (CID 99769633) is [(3R)-2,2,3,4,4,4-hexafluorobutyl] propyl carbonate.
What is the SMILES notation for [(3R)-2,2,3,4,4,4-hexafluorobutyl] propyl carbonate?
The canonical SMILES for [(3R)-2,2,3,4,4,4-hexafluorobutyl] propyl carbonate is CCCOC(=O)OCC(F)(F)[C@@H](F)C(F)(F)F.
What is the InChIKey of [(3R)-2,2,3,4,4,4-hexafluorobutyl] propyl carbonate?
The InChIKey is JJXVWCQFGQLWAC-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10F6O3/c1-2-3-16-6(15)17-4-7(10,11)5(9)8(12,13)14/h5H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of [(3R)-2,2,3,4,4,4-hexafluorobutyl] propyl carbonate?
[(3R)-2,2,3,4,4,4-hexafluorobutyl] propyl carbonate has a molecular weight of 268.15 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2,2,3,4,4,4-hexafluorobutyl] propyl carbonate is sourced from PubChem (CID 99769633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).