(3Z,5E)-5-fluoro-2-methylidenehepta-3,5-dien-1-ol

C8H11FO — CID 89416424

IUPAC(3Z,5E)-5-fluoro-2-methylidenehepta-3,5-dien-1-ol
SMILESC=C(/C=C\C(F)=C/C)CO
InChIInChI=1S/C8H11FO/c1-3-8(9)5-4-7(2)6-10/h3-5,10H,2,6H2,1H3/b5-4-,8-3+
InChIKeyZARYKKUENCHFRA-UEQFWHKLSA-N
MW142.17 g/mol
LogP1.96
Rot. Bonds3

About (3Z,5E)-5-fluoro-2-methylidenehepta-3,5-dien-1-ol

(3Z,5E)-5-fluoro-2-methylidenehepta-3,5-dien-1-ol (PubChem CID 89416424) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is (3Z,5E)-5-fluoro-2-methylidenehepta-3,5-dien-1-ol.

Molecular Properties

Compound Name(3Z,5E)-5-fluoro-2-methylidenehepta-3,5-dien-1-ol
PubChem CID89416424
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name(3Z,5E)-5-fluoro-2-methylidenehepta-3,5-dien-1-ol
SMILESC=C(/C=C\C(F)=C/C)CO
InChIInChI=1S/C8H11FO/c1-3-8(9)5-4-7(2)6-10/h3-5,10H,2,6H2,1H3/b5-4-,8-3+
InChIKeyZARYKKUENCHFRA-UEQFWHKLSA-N
XLogP1.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-fluoro-2-methylidenehepta-3,5-dien-1-ol?
The IUPAC name of (3Z,5E)-5-fluoro-2-methylidenehepta-3,5-dien-1-ol (CID 89416424) is (3Z,5E)-5-fluoro-2-methylidenehepta-3,5-dien-1-ol.
What is the SMILES notation for (3Z,5E)-5-fluoro-2-methylidenehepta-3,5-dien-1-ol?
The canonical SMILES for (3Z,5E)-5-fluoro-2-methylidenehepta-3,5-dien-1-ol is C=C(/C=C\C(F)=C/C)CO.
What is the InChIKey of (3Z,5E)-5-fluoro-2-methylidenehepta-3,5-dien-1-ol?
The InChIKey is ZARYKKUENCHFRA-UEQFWHKLSA-N. The full InChI is InChI=1S/C8H11FO/c1-3-8(9)5-4-7(2)6-10/h3-5,10H,2,6H2,1H3/b5-4-,8-3+.
What are the key properties of (3Z,5E)-5-fluoro-2-methylidenehepta-3,5-dien-1-ol?
(3Z,5E)-5-fluoro-2-methylidenehepta-3,5-dien-1-ol has a molecular weight of 142.17 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-fluoro-2-methylidenehepta-3,5-dien-1-ol is sourced from PubChem (CID 89416424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).