3,3,4,4,5,5,5-heptafluoro-2-[(3,3,4,4,5,5,5-heptafluoro-2-methylidenepentoxy)methyl]pent-1-ene

C12H8F14O — CID 139816536

IUPAC3,3,4,4,5,5,5-heptafluoro-2-[(3,3,4,4,5,5,5-heptafluoro-2-methylidenepentoxy)methyl]pent-1-ene
SMILESC=C(COCC(=C)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H8F14O/c1-5(7(13,14)9(17,18)11(21,22)23)3-27-4-6(2)8(15,16)10(19,20)12(24,25)26/h1-4H2
InChIKeyWOTQWWRACIZKIC-UHFFFAOYSA-N
MW434.17 g/mol
LogP5.78
Rot. Bonds8

About 3,3,4,4,5,5,5-heptafluoro-2-[(3,3,4,4,5,5,5-heptafluoro-2-methylidenepentoxy)methyl]pent-1-ene

3,3,4,4,5,5,5-heptafluoro-2-[(3,3,4,4,5,5,5-heptafluoro-2-methylidenepentoxy)methyl]pent-1-ene (PubChem CID 139816536) has the molecular formula C12H8F14O and a molecular weight of 434.17 g/mol. Its IUPAC name is 3,3,4,4,5,5,5-heptafluoro-2-[(3,3,4,4,5,5,5-heptafluoro-2-methylidenepentoxy)methyl]pent-1-ene.

Molecular Properties

Compound Name3,3,4,4,5,5,5-heptafluoro-2-[(3,3,4,4,5,5,5-heptafluoro-2-methylidenepentoxy)methyl]pent-1-ene
PubChem CID139816536
Molecular FormulaC12H8F14O
Molecular Weight434.17 g/mol
Exact Mass434.04
IUPAC Name3,3,4,4,5,5,5-heptafluoro-2-[(3,3,4,4,5,5,5-heptafluoro-2-methylidenepentoxy)methyl]pent-1-ene
SMILESC=C(COCC(=C)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H8F14O/c1-5(7(13,14)9(17,18)11(21,22)23)3-27-4-6(2)8(15,16)10(19,20)12(24,25)26/h1-4H2
InChIKeyWOTQWWRACIZKIC-UHFFFAOYSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.17
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,5-heptafluoro-2-[(3,3,4,4,5,5,5-heptafluoro-2-methylidenepentoxy)methyl]pent-1-ene?
The IUPAC name of 3,3,4,4,5,5,5-heptafluoro-2-[(3,3,4,4,5,5,5-heptafluoro-2-methylidenepentoxy)methyl]pent-1-ene (CID 139816536) is 3,3,4,4,5,5,5-heptafluoro-2-[(3,3,4,4,5,5,5-heptafluoro-2-methylidenepentoxy)methyl]pent-1-ene.
What is the SMILES notation for 3,3,4,4,5,5,5-heptafluoro-2-[(3,3,4,4,5,5,5-heptafluoro-2-methylidenepentoxy)methyl]pent-1-ene?
The canonical SMILES for 3,3,4,4,5,5,5-heptafluoro-2-[(3,3,4,4,5,5,5-heptafluoro-2-methylidenepentoxy)methyl]pent-1-ene is C=C(COCC(=C)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,5-heptafluoro-2-[(3,3,4,4,5,5,5-heptafluoro-2-methylidenepentoxy)methyl]pent-1-ene?
The InChIKey is WOTQWWRACIZKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F14O/c1-5(7(13,14)9(17,18)11(21,22)23)3-27-4-6(2)8(15,16)10(19,20)12(24,25)26/h1-4H2.
What are the key properties of 3,3,4,4,5,5,5-heptafluoro-2-[(3,3,4,4,5,5,5-heptafluoro-2-methylidenepentoxy)methyl]pent-1-ene?
3,3,4,4,5,5,5-heptafluoro-2-[(3,3,4,4,5,5,5-heptafluoro-2-methylidenepentoxy)methyl]pent-1-ene has a molecular weight of 434.17 g/mol, XLogP of 5.78, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,5-heptafluoro-2-[(3,3,4,4,5,5,5-heptafluoro-2-methylidenepentoxy)methyl]pent-1-ene is sourced from PubChem (CID 139816536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).