(E)-8,8,9,9-tetrafluoro-5-methyl-1-propoxynon-4-ene

C13H22F4O — CID 149416341

IUPAC(E)-8,8,9,9-tetrafluoro-5-methyl-1-propoxynon-4-ene
SMILESCCCOCCC/C=C(\C)CCC(F)(F)C(F)F
InChIInChI=1S/C13H22F4O/c1-3-9-18-10-5-4-6-11(2)7-8-13(16,17)12(14)15/h6,12H,3-5,7-10H2,1-2H3/b11-6+
InChIKeyYSGGXTNNVPYFLQ-IZZDOVSWSA-N
MW270.31 g/mol
LogP4.82
Rot. Bonds10

About (E)-8,8,9,9-tetrafluoro-5-methyl-1-propoxynon-4-ene

(E)-8,8,9,9-tetrafluoro-5-methyl-1-propoxynon-4-ene (PubChem CID 149416341) has the molecular formula C13H22F4O and a molecular weight of 270.31 g/mol. Its IUPAC name is (E)-8,8,9,9-tetrafluoro-5-methyl-1-propoxynon-4-ene.

Molecular Properties

Compound Name(E)-8,8,9,9-tetrafluoro-5-methyl-1-propoxynon-4-ene
PubChem CID149416341
Molecular FormulaC13H22F4O
Molecular Weight270.31 g/mol
Exact Mass270.16
IUPAC Name(E)-8,8,9,9-tetrafluoro-5-methyl-1-propoxynon-4-ene
SMILESCCCOCCC/C=C(\C)CCC(F)(F)C(F)F
InChIInChI=1S/C13H22F4O/c1-3-9-18-10-5-4-6-11(2)7-8-13(16,17)12(14)15/h6,12H,3-5,7-10H2,1-2H3/b11-6+
InChIKeyYSGGXTNNVPYFLQ-IZZDOVSWSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 87136906
14-(ethoxymethoxy)-2,6,10-trimethyltetradeca-2,6,10-triene
CID 57281469
6-propoxyhex-2-ene
CID 90940271
1-ethoxy-4-methylundec-3-ene
CID 72800816
2-(hydroxymethyl)-2-(5,9,13-trimethyltetradec-4-enoxymethyl)propane-1,3-diol
CID 75995745
1,1-difluoro-1-methoxy-5-propoxypentan-2-one
CID 162217486
2-methyl-7-propoxyhept-2-enoic acid
CID 123969455
3-methyl-5-propoxypent-2-ene
CID 123743714
1-propoxy-3-(3-propoxypropoxy)propane
CID 90943526
2-[[2,2-bis(hydroxymethyl)-3-[(E)-5,9,13,17-tetramethyloctadec-4-enoxy]propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 88939217
(5Z)-12-(2-ethoxyethoxy)-6,10-dimethyldodeca-1,5-diene
CID 162701551
N-propyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
CID 62455623

Frequently Asked Questions

What is the IUPAC name of (E)-8,8,9,9-tetrafluoro-5-methyl-1-propoxynon-4-ene?
The IUPAC name of (E)-8,8,9,9-tetrafluoro-5-methyl-1-propoxynon-4-ene (CID 149416341) is (E)-8,8,9,9-tetrafluoro-5-methyl-1-propoxynon-4-ene.
What is the SMILES notation for (E)-8,8,9,9-tetrafluoro-5-methyl-1-propoxynon-4-ene?
The canonical SMILES for (E)-8,8,9,9-tetrafluoro-5-methyl-1-propoxynon-4-ene is CCCOCCC/C=C(\C)CCC(F)(F)C(F)F.
What is the InChIKey of (E)-8,8,9,9-tetrafluoro-5-methyl-1-propoxynon-4-ene?
The InChIKey is YSGGXTNNVPYFLQ-IZZDOVSWSA-N. The full InChI is InChI=1S/C13H22F4O/c1-3-9-18-10-5-4-6-11(2)7-8-13(16,17)12(14)15/h6,12H,3-5,7-10H2,1-2H3/b11-6+.
What are the key properties of (E)-8,8,9,9-tetrafluoro-5-methyl-1-propoxynon-4-ene?
(E)-8,8,9,9-tetrafluoro-5-methyl-1-propoxynon-4-ene has a molecular weight of 270.31 g/mol, XLogP of 4.82, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8,8,9,9-tetrafluoro-5-methyl-1-propoxynon-4-ene is sourced from PubChem (CID 149416341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).