(2Z,4E)-6,6,8,8,9,9,9-heptafluoro-5-methylnona-2,4-dien-2-ol

C10H11F7O — CID 173489160

IUPAC(2Z,4E)-6,6,8,8,9,9,9-heptafluoro-5-methylnona-2,4-dien-2-ol
SMILESC/C(O)=C/C=C(\C)C(F)(F)CC(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F7O/c1-6(3-4-7(2)18)8(11,12)5-9(13,14)10(15,16)17/h3-4,18H,5H2,1-2H3/b6-3+,7-4-
InChIKeyBIBKQNMAKWCBSK-JOVCIAKGSA-N
MW280.18 g/mol
LogP4.62
Rot. Bonds4

About (2Z,4E)-6,6,8,8,9,9,9-heptafluoro-5-methylnona-2,4-dien-2-ol

(2Z,4E)-6,6,8,8,9,9,9-heptafluoro-5-methylnona-2,4-dien-2-ol (PubChem CID 173489160) has the molecular formula C10H11F7O and a molecular weight of 280.18 g/mol. Its IUPAC name is (2Z,4E)-6,6,8,8,9,9,9-heptafluoro-5-methylnona-2,4-dien-2-ol.

Molecular Properties

Compound Name(2Z,4E)-6,6,8,8,9,9,9-heptafluoro-5-methylnona-2,4-dien-2-ol
PubChem CID173489160
Molecular FormulaC10H11F7O
Molecular Weight280.18 g/mol
Exact Mass280.07
IUPAC Name(2Z,4E)-6,6,8,8,9,9,9-heptafluoro-5-methylnona-2,4-dien-2-ol
SMILESC/C(O)=C/C=C(\C)C(F)(F)CC(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F7O/c1-6(3-4-7(2)18)8(11,12)5-9(13,14)10(15,16)17/h3-4,18H,5H2,1-2H3/b6-3+,7-4-
InChIKeyBIBKQNMAKWCBSK-JOVCIAKGSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.18
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-6,6,8,8,9,9,9-heptafluoro-5-methylnona-2,4-dien-2-ol?
The IUPAC name of (2Z,4E)-6,6,8,8,9,9,9-heptafluoro-5-methylnona-2,4-dien-2-ol (CID 173489160) is (2Z,4E)-6,6,8,8,9,9,9-heptafluoro-5-methylnona-2,4-dien-2-ol.
What is the SMILES notation for (2Z,4E)-6,6,8,8,9,9,9-heptafluoro-5-methylnona-2,4-dien-2-ol?
The canonical SMILES for (2Z,4E)-6,6,8,8,9,9,9-heptafluoro-5-methylnona-2,4-dien-2-ol is C/C(O)=C/C=C(\C)C(F)(F)CC(F)(F)C(F)(F)F.
What is the InChIKey of (2Z,4E)-6,6,8,8,9,9,9-heptafluoro-5-methylnona-2,4-dien-2-ol?
The InChIKey is BIBKQNMAKWCBSK-JOVCIAKGSA-N. The full InChI is InChI=1S/C10H11F7O/c1-6(3-4-7(2)18)8(11,12)5-9(13,14)10(15,16)17/h3-4,18H,5H2,1-2H3/b6-3+,7-4-.
What are the key properties of (2Z,4E)-6,6,8,8,9,9,9-heptafluoro-5-methylnona-2,4-dien-2-ol?
(2Z,4E)-6,6,8,8,9,9,9-heptafluoro-5-methylnona-2,4-dien-2-ol has a molecular weight of 280.18 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-6,6,8,8,9,9,9-heptafluoro-5-methylnona-2,4-dien-2-ol is sourced from PubChem (CID 173489160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).