ethoxyethane;1,1,1,2,2,3,3,4,4-nonafluorobutane

C8H11F9O — CID 87793625

IUPACethoxyethane;1,1,1,2,2,3,3,4,4-nonafluorobutane
SMILESCCOCC.FC(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF9.C4H10O/c5-1(6)2(7,8)3(9,10)4(11,12)13;1-3-5-4-2/h1H;3-4H2,1-2H3
InChIKeyKLQGEJUSZZLDMM-UHFFFAOYSA-N
MW294.16 g/mol
LogP4.13
Rot. Bonds4

About ethoxyethane;1,1,1,2,2,3,3,4,4-nonafluorobutane

ethoxyethane;1,1,1,2,2,3,3,4,4-nonafluorobutane (PubChem CID 87793625) has the molecular formula C8H11F9O and a molecular weight of 294.16 g/mol. Its IUPAC name is ethoxyethane;1,1,1,2,2,3,3,4,4-nonafluorobutane.

Molecular Properties

Compound Nameethoxyethane;1,1,1,2,2,3,3,4,4-nonafluorobutane
PubChem CID87793625
Molecular FormulaC8H11F9O
Molecular Weight294.16 g/mol
Exact Mass294.07
IUPAC Nameethoxyethane;1,1,1,2,2,3,3,4,4-nonafluorobutane
SMILESCCOCC.FC(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF9.C4H10O/c5-1(6)2(7,8)3(9,10)4(11,12)13;1-3-5-4-2/h1H;3-4H2,1-2H3
InChIKeyKLQGEJUSZZLDMM-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 54.13
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

5-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2,3,3,4,4-octafluoropentane
CID 19761973
10,10-diethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluorodecane
CID 57224801
trifluoromethanol;1,1,1,2,2,3,3,4,4,5,5-undecafluoropentane
CID 174966166
sodium;hydride;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane
CID 173105318
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
1,1,2,2,3,3,4,5,5-nonafluoro-6-methoxy-4-(trifluoromethyl)hexane
CID 170095946
5-chloro-1,1,2,2,3,3,4-heptafluoro-4-methoxypentane
CID 14093190
1,1,2,2,3,3,4,4,6,6,7,7-dodecafluorononane
CID 168937554
tetrakis(2,2,3,3,4,4,5,5-octafluoropentyl)boranuide
CID 22465087
12-ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorododecane
CID 58954528
triethoxy(2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-octadecafluorodecyl)silane
CID 21254451

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;1,1,1,2,2,3,3,4,4-nonafluorobutane?
The IUPAC name of ethoxyethane;1,1,1,2,2,3,3,4,4-nonafluorobutane (CID 87793625) is ethoxyethane;1,1,1,2,2,3,3,4,4-nonafluorobutane.
What is the SMILES notation for ethoxyethane;1,1,1,2,2,3,3,4,4-nonafluorobutane?
The canonical SMILES for ethoxyethane;1,1,1,2,2,3,3,4,4-nonafluorobutane is CCOCC.FC(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of ethoxyethane;1,1,1,2,2,3,3,4,4-nonafluorobutane?
The InChIKey is KLQGEJUSZZLDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF9.C4H10O/c5-1(6)2(7,8)3(9,10)4(11,12)13;1-3-5-4-2/h1H;3-4H2,1-2H3.
What are the key properties of ethoxyethane;1,1,1,2,2,3,3,4,4-nonafluorobutane?
ethoxyethane;1,1,1,2,2,3,3,4,4-nonafluorobutane has a molecular weight of 294.16 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;1,1,1,2,2,3,3,4,4-nonafluorobutane is sourced from PubChem (CID 87793625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).