ethyl 2,2,3,4,4,4-hexafluorobutyl carbonate

C7H8F6O3 — CID 86632752

IUPACethyl 2,2,3,4,4,4-hexafluorobutyl carbonate
SMILESCCOC(=O)OCC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C7H8F6O3/c1-2-15-5(14)16-3-6(9,10)4(8)7(11,12)13/h4H,2-3H2,1H3
InChIKeyYKYMHQGFSAMUCV-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.70
Rot. Bonds4

About ethyl 2,2,3,4,4,4-hexafluorobutyl carbonate

ethyl 2,2,3,4,4,4-hexafluorobutyl carbonate (PubChem CID 86632752) has the molecular formula C7H8F6O3 and a molecular weight of 254.13 g/mol. Its IUPAC name is ethyl 2,2,3,4,4,4-hexafluorobutyl carbonate.

Molecular Properties

Compound Nameethyl 2,2,3,4,4,4-hexafluorobutyl carbonate
PubChem CID86632752
Molecular FormulaC7H8F6O3
Molecular Weight254.13 g/mol
Exact Mass254.04
IUPAC Nameethyl 2,2,3,4,4,4-hexafluorobutyl carbonate
SMILESCCOC(=O)OCC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C7H8F6O3/c1-2-15-5(14)16-3-6(9,10)4(8)7(11,12)13/h4H,2-3H2,1H3
InChIKeyYKYMHQGFSAMUCV-UHFFFAOYSA-N
XLogP2.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2,2,2-trifluoroethyl carbonate
CID 17761042
Ethyl 2,2,2-trifluoroethyl carbonate
CID 21263423
Bis(2,2,3,3-tetrafluoropropyl) Carbonate
CID 11659296
Bis(2,2,3,3,4,4,4-heptafluorobutyl) carbonate
CID 11495583
2,2,3,3,4,4,4-Heptafluorobutyl methyl carbonate
CID 22104774
Bis(2,2,2-trifluoroethyl) Carbonate
CID 11447463
Ethyl 2,2,3,3-tetrafluoropropyl carbonate
CID 42634538
Bis(2,2-difluoroethyl) carbonate
CID 15985041
1-Fluoroethyl propyl carbonate
CID 150572044
2,2,3,3,4,4,5,5-Octafluoropentyl ethyl carbonate
CID 14533042
Carbonic acid, 2,2-difluoroethyl ethyl ester
CID 15985039
Methyl 2,2,3,3-tetrafluoropropyl carbonate
CID 21263425

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2,3,4,4,4-hexafluorobutyl carbonate?
The IUPAC name of ethyl 2,2,3,4,4,4-hexafluorobutyl carbonate (CID 86632752) is ethyl 2,2,3,4,4,4-hexafluorobutyl carbonate.
What is the SMILES notation for ethyl 2,2,3,4,4,4-hexafluorobutyl carbonate?
The canonical SMILES for ethyl 2,2,3,4,4,4-hexafluorobutyl carbonate is CCOC(=O)OCC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of ethyl 2,2,3,4,4,4-hexafluorobutyl carbonate?
The InChIKey is YKYMHQGFSAMUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F6O3/c1-2-15-5(14)16-3-6(9,10)4(8)7(11,12)13/h4H,2-3H2,1H3.
What are the key properties of ethyl 2,2,3,4,4,4-hexafluorobutyl carbonate?
ethyl 2,2,3,4,4,4-hexafluorobutyl carbonate has a molecular weight of 254.13 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2,3,4,4,4-hexafluorobutyl carbonate is sourced from PubChem (CID 86632752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).