1-ethoxy-1,1,2,2,3,3-hexafluorobutane

C6H8F6O — CID 152519204

IUPAC1-ethoxy-1,1,2,2,3,3-hexafluorobutane
SMILESCCOC(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C6H8F6O/c1-3-13-6(11,12)5(9,10)4(2,7)8/h3H2,1-2H3
InChIKeyYHECTMAPSBUYQZ-UHFFFAOYSA-N
MW210.12 g/mol
LogP2.91
Rot. Bonds4

About 1-ethoxy-1,1,2,2,3,3-hexafluorobutane

1-ethoxy-1,1,2,2,3,3-hexafluorobutane (PubChem CID 152519204) has the molecular formula C6H8F6O and a molecular weight of 210.12 g/mol. Its IUPAC name is 1-ethoxy-1,1,2,2,3,3-hexafluorobutane.

Molecular Properties

Compound Name1-ethoxy-1,1,2,2,3,3-hexafluorobutane
PubChem CID152519204
Molecular FormulaC6H8F6O
Molecular Weight210.12 g/mol
Exact Mass210.05
IUPAC Name1-ethoxy-1,1,2,2,3,3-hexafluorobutane
SMILESCCOC(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C6H8F6O/c1-3-13-6(11,12)5(9,10)4(2,7)8/h3H2,1-2H3
InChIKeyYHECTMAPSBUYQZ-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.12
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane
CID 91447807
1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
CID 87277022
2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane
CID 87992619
2-ethoxy-2-fluorobutane
CID 89114459
1,1,2,2,3-pentafluoro-3-methyl-1-propoxybutane
CID 175046926
2,2,3,3,4,4-hexafluoropentane
CID 18188371
1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-fluoropiperidine
CID 18725559
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane
CID 19761961
3-ethoxy-1,1,1,2,2,3,4,4,5,5,6,6,6-tridecafluorohexane
CID 122391796

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1,1,2,2,3,3-hexafluorobutane?
The IUPAC name of 1-ethoxy-1,1,2,2,3,3-hexafluorobutane (CID 152519204) is 1-ethoxy-1,1,2,2,3,3-hexafluorobutane.
What is the SMILES notation for 1-ethoxy-1,1,2,2,3,3-hexafluorobutane?
The canonical SMILES for 1-ethoxy-1,1,2,2,3,3-hexafluorobutane is CCOC(F)(F)C(F)(F)C(C)(F)F.
What is the InChIKey of 1-ethoxy-1,1,2,2,3,3-hexafluorobutane?
The InChIKey is YHECTMAPSBUYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6O/c1-3-13-6(11,12)5(9,10)4(2,7)8/h3H2,1-2H3.
What are the key properties of 1-ethoxy-1,1,2,2,3,3-hexafluorobutane?
1-ethoxy-1,1,2,2,3,3-hexafluorobutane has a molecular weight of 210.12 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,1,2,2,3,3-hexafluorobutane is sourced from PubChem (CID 152519204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).