1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoro-6-(trifluoromethyl)heptane

C10H5F17O — CID 87408300

IUPAC1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoro-6-(trifluoromethyl)heptane
SMILESCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H5F17O/c1-2-28-10(26,27)7(18,19)6(16,17)5(14,15)4(12,13)3(11,8(20,21)22)9(23,24)25/h2H2,1H3
InChIKeyFULNGQGKFQKYPJ-UHFFFAOYSA-N
MW464.12 g/mol
LogP5.99
Rot. Bonds7

About 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoro-6-(trifluoromethyl)heptane

1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoro-6-(trifluoromethyl)heptane (PubChem CID 87408300) has the molecular formula C10H5F17O and a molecular weight of 464.12 g/mol. Its IUPAC name is 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoro-6-(trifluoromethyl)heptane.

Molecular Properties

Compound Name1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoro-6-(trifluoromethyl)heptane
PubChem CID87408300
Molecular FormulaC10H5F17O
Molecular Weight464.12 g/mol
Exact Mass464.01
IUPAC Name1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoro-6-(trifluoromethyl)heptane
SMILESCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H5F17O/c1-2-28-10(26,27)7(18,19)6(16,17)5(14,15)4(12,13)3(11,8(20,21)22)9(23,24)25/h2H2,1H3
InChIKeyFULNGQGKFQKYPJ-UHFFFAOYSA-N
XLogP5.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.12
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoro-6-(trifluoromethyl)heptane with MolForge

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Related Compounds

Ethyl perfluoroheptyl ether
CID 9909702
2-[1,1,2,2,3,3,4,4,5,5,6,6,7,8,8,8-Hexadecafluoro-7-(trifluoromethyl)octyl]-3-methyloxirane
CID 18935091
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-(2-methylpropoxy)heptane
CID 19761917
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluoro-7-(2-methylpropoxy)heptane
CID 19761922
2-(Ethoxymethyl)-1,1,1-trifluoroheptane
CID 22002874
1,1,1-Trifluoro-2-(hexoxymethyl)heptane
CID 22002924
2-(Butoxymethyl)-1,1,1-trifluoroheptane
CID 22002968
1-Ethoxy-1,1,2,2,3,4,4,5,5-nonafluoro-3-(trifluoromethyl)hexane
CID 22088870
1,1,2,2,3,3,4,4,5,5,6-Undecafluoro-6-(methoxymethyl)cyclohexane
CID 22292468
2,3,4,5-Tetrafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxane
CID 54065018
1,1,2,2,3,3,4,5,5-Nonafluoro-4-(methoxymethyl)cyclohexane
CID 57623783
2,2-Difluoro-1-propoxy-3-(trifluoromethyl)heptane
CID 59271114

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoro-6-(trifluoromethyl)heptane?
The IUPAC name of 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoro-6-(trifluoromethyl)heptane (CID 87408300) is 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoro-6-(trifluoromethyl)heptane.
What is the SMILES notation for 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoro-6-(trifluoromethyl)heptane?
The canonical SMILES for 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoro-6-(trifluoromethyl)heptane is CCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoro-6-(trifluoromethyl)heptane?
The InChIKey is FULNGQGKFQKYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F17O/c1-2-28-10(26,27)7(18,19)6(16,17)5(14,15)4(12,13)3(11,8(20,21)22)9(23,24)25/h2H2,1H3.
What are the key properties of 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoro-6-(trifluoromethyl)heptane?
1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoro-6-(trifluoromethyl)heptane has a molecular weight of 464.12 g/mol, XLogP of 5.99, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoro-6-(trifluoromethyl)heptane is sourced from PubChem (CID 87408300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).