(5Z)-7-(fluoromethyl)-4-methylideneocta-5,7-dien-2-yn-1-ol

C10H11FO — CID 170789294

IUPAC(5Z)-7-(fluoromethyl)-4-methylideneocta-5,7-dien-2-yn-1-ol
SMILESC=C(C#CCO)/C=C\C(=C)CF
InChIInChI=1S/C10H11FO/c1-9(4-3-7-12)5-6-10(2)8-11/h5-6,12H,1-2,7-8H2/b6-5-
InChIKeyGDHUWGJOCCJKCT-WAYWQWQTSA-N
MW166.19 g/mol
LogP1.62
Rot. Bonds3

About (5Z)-7-(fluoromethyl)-4-methylideneocta-5,7-dien-2-yn-1-ol

(5Z)-7-(fluoromethyl)-4-methylideneocta-5,7-dien-2-yn-1-ol (PubChem CID 170789294) has the molecular formula C10H11FO and a molecular weight of 166.19 g/mol. Its IUPAC name is (5Z)-7-(fluoromethyl)-4-methylideneocta-5,7-dien-2-yn-1-ol.

Molecular Properties

Compound Name(5Z)-7-(fluoromethyl)-4-methylideneocta-5,7-dien-2-yn-1-ol
PubChem CID170789294
Molecular FormulaC10H11FO
Molecular Weight166.19 g/mol
Exact Mass166.08
IUPAC Name(5Z)-7-(fluoromethyl)-4-methylideneocta-5,7-dien-2-yn-1-ol
SMILESC=C(C#CCO)/C=C\C(=C)CF
InChIInChI=1S/C10H11FO/c1-9(4-3-7-12)5-6-10(2)8-11/h5-6,12H,1-2,7-8H2/b6-5-
InChIKeyGDHUWGJOCCJKCT-WAYWQWQTSA-N
XLogP1.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-7-fluoro-4-methylideneocta-5,7-dien-2-yn-1-ol
CID 89722229
4-(4-Fluorocyclohexa-1,5-dien-1-yl)but-3-yn-1-ol
CID 123696469
7-(2-Fluoro-4-methylcyclobuta-1,3-dien-1-yl)hepta-4,6-diyn-1-ol
CID 134394940
(7E)-8-fluoro-6-methyldeca-7,9-dien-3-yn-1-ol
CID 146209361
(1Z,3Z,5Z)-5-ethyl-2-fluorohepta-1,3,5-trien-1-ol
CID 143502323
3-Cyclohexa-1,5-dien-1-ylprop-2-yn-1-ol
CID 15965698
3-Phenylprop-2-yn-1-ol;tungsten
CID 57940241
(Z,6E)-6-ethylidenedec-7-en-4-yn-1-ol
CID 122600345
3-Cyclohexa-1,5-dien-1-ylprop-2-yn-1-ol;ethane
CID 143442140
2-(2-Ethynyl-2,4-cyclopentadien-1-ylidene)ethenol
CID 45079125
3-(Cyclohexa-1,3-dien-1-yl)prop-2-yn-1-ol
CID 71446282
3-Cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol
CID 101337605

Frequently Asked Questions

What is the IUPAC name of (5Z)-7-(fluoromethyl)-4-methylideneocta-5,7-dien-2-yn-1-ol?
The IUPAC name of (5Z)-7-(fluoromethyl)-4-methylideneocta-5,7-dien-2-yn-1-ol (CID 170789294) is (5Z)-7-(fluoromethyl)-4-methylideneocta-5,7-dien-2-yn-1-ol.
What is the SMILES notation for (5Z)-7-(fluoromethyl)-4-methylideneocta-5,7-dien-2-yn-1-ol?
The canonical SMILES for (5Z)-7-(fluoromethyl)-4-methylideneocta-5,7-dien-2-yn-1-ol is C=C(C#CCO)/C=C\C(=C)CF.
What is the InChIKey of (5Z)-7-(fluoromethyl)-4-methylideneocta-5,7-dien-2-yn-1-ol?
The InChIKey is GDHUWGJOCCJKCT-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H11FO/c1-9(4-3-7-12)5-6-10(2)8-11/h5-6,12H,1-2,7-8H2/b6-5-.
What are the key properties of (5Z)-7-(fluoromethyl)-4-methylideneocta-5,7-dien-2-yn-1-ol?
(5Z)-7-(fluoromethyl)-4-methylideneocta-5,7-dien-2-yn-1-ol has a molecular weight of 166.19 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-7-(fluoromethyl)-4-methylideneocta-5,7-dien-2-yn-1-ol is sourced from PubChem (CID 170789294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).