(4Z)-6-fluoro-2-hydroxyhepta-4,6-dienenitrile

C7H8FNO — CID 126690460

IUPAC(4Z)-6-fluoro-2-hydroxyhepta-4,6-dienenitrile
SMILESC=C(F)/C=C\CC(O)C#N
InChIInChI=1S/C7H8FNO/c1-6(8)3-2-4-7(10)5-9/h2-3,7,10H,1,4H2/b3-2-
InChIKeyNHAYNIBFXMNHAI-IHWYPQMZSA-N
MW141.14 g/mol
LogP1.30
Rot. Bonds3

About (4Z)-6-fluoro-2-hydroxyhepta-4,6-dienenitrile

(4Z)-6-fluoro-2-hydroxyhepta-4,6-dienenitrile (PubChem CID 126690460) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is (4Z)-6-fluoro-2-hydroxyhepta-4,6-dienenitrile.

Molecular Properties

Compound Name(4Z)-6-fluoro-2-hydroxyhepta-4,6-dienenitrile
PubChem CID126690460
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC Name(4Z)-6-fluoro-2-hydroxyhepta-4,6-dienenitrile
SMILESC=C(F)/C=C\CC(O)C#N
InChIInChI=1S/C7H8FNO/c1-6(8)3-2-4-7(10)5-9/h2-3,7,10H,1,4H2/b3-2-
InChIKeyNHAYNIBFXMNHAI-IHWYPQMZSA-N
XLogP1.30
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-6-fluoro-2-hydroxyhepta-4,6-dienenitrile?
The IUPAC name of (4Z)-6-fluoro-2-hydroxyhepta-4,6-dienenitrile (CID 126690460) is (4Z)-6-fluoro-2-hydroxyhepta-4,6-dienenitrile.
What is the SMILES notation for (4Z)-6-fluoro-2-hydroxyhepta-4,6-dienenitrile?
The canonical SMILES for (4Z)-6-fluoro-2-hydroxyhepta-4,6-dienenitrile is C=C(F)/C=C\CC(O)C#N.
What is the InChIKey of (4Z)-6-fluoro-2-hydroxyhepta-4,6-dienenitrile?
The InChIKey is NHAYNIBFXMNHAI-IHWYPQMZSA-N. The full InChI is InChI=1S/C7H8FNO/c1-6(8)3-2-4-7(10)5-9/h2-3,7,10H,1,4H2/b3-2-.
What are the key properties of (4Z)-6-fluoro-2-hydroxyhepta-4,6-dienenitrile?
(4Z)-6-fluoro-2-hydroxyhepta-4,6-dienenitrile has a molecular weight of 141.14 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-fluoro-2-hydroxyhepta-4,6-dienenitrile is sourced from PubChem (CID 126690460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).