3-ethoxy-1,1,2,2,4,4-hexafluoropentane

C7H10F6O — CID 54023410

IUPAC3-ethoxy-1,1,2,2,4,4-hexafluoropentane
SMILESCCOC(C(C)(F)F)C(F)(F)C(F)F
InChIInChI=1S/C7H10F6O/c1-3-14-4(6(2,10)11)7(12,13)5(8)9/h4-5H,3H2,1-2H3
InChIKeyLAMRXBKUKZSFNA-UHFFFAOYSA-N
MW224.14 g/mol
LogP2.95
Rot. Bonds5

About 3-ethoxy-1,1,2,2,4,4-hexafluoropentane

3-ethoxy-1,1,2,2,4,4-hexafluoropentane (PubChem CID 54023410) has the molecular formula C7H10F6O and a molecular weight of 224.14 g/mol. Its IUPAC name is 3-ethoxy-1,1,2,2,4,4-hexafluoropentane.

Molecular Properties

Compound Name3-ethoxy-1,1,2,2,4,4-hexafluoropentane
PubChem CID54023410
Molecular FormulaC7H10F6O
Molecular Weight224.14 g/mol
Exact Mass224.06
IUPAC Name3-ethoxy-1,1,2,2,4,4-hexafluoropentane
SMILESCCOC(C(C)(F)F)C(F)(F)C(F)F
InChIInChI=1S/C7H10F6O/c1-3-14-4(6(2,10)11)7(12,13)5(8)9/h4-5H,3H2,1-2H3
InChIKeyLAMRXBKUKZSFNA-UHFFFAOYSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 52.95
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

3-ethoxy-1,1,2,2,4-pentafluoropentane
CID 57087164
3-ethoxy-1,1,2,4,4-pentafluoropentane
CID 54231130
3-ethoxy-1,1,2,2,5-pentafluoropentane
CID 54131006
3-ethoxy-1,1,1,2,2,4,4,4-octafluorobutane
CID 54448853
2-ethoxy-1,1,1,3,4-pentafluorobutane
CID 57199852
3-ethoxy-1,2,2,4-tetrafluoropentane
CID 57247223
1-ethoxy-2,2,2-trifluoroethanol
CID 9897
(S)-N-(1-ethoxy-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide
CID 166148136
3-(3,3-diethoxypropoxy)-1,1,2,2-tetrafluoropropane
CID 55248600
2-fluoropropane;methoxymethane;propane;1,1,1-trifluoroethane
CID 165044243
2-ethoxy-2-fluorobutane
CID 89114459
(3,3-difluoro-4-triethoxysilylpentan-2-yl)-triethoxysilane
CID 87839555

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,1,2,2,4,4-hexafluoropentane?
The IUPAC name of 3-ethoxy-1,1,2,2,4,4-hexafluoropentane (CID 54023410) is 3-ethoxy-1,1,2,2,4,4-hexafluoropentane.
What is the SMILES notation for 3-ethoxy-1,1,2,2,4,4-hexafluoropentane?
The canonical SMILES for 3-ethoxy-1,1,2,2,4,4-hexafluoropentane is CCOC(C(C)(F)F)C(F)(F)C(F)F.
What is the InChIKey of 3-ethoxy-1,1,2,2,4,4-hexafluoropentane?
The InChIKey is LAMRXBKUKZSFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O/c1-3-14-4(6(2,10)11)7(12,13)5(8)9/h4-5H,3H2,1-2H3.
What are the key properties of 3-ethoxy-1,1,2,2,4,4-hexafluoropentane?
3-ethoxy-1,1,2,2,4,4-hexafluoropentane has a molecular weight of 224.14 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,1,2,2,4,4-hexafluoropentane is sourced from PubChem (CID 54023410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).