(3Z)-3-ethyl-5-fluoro-2-methylidenehexa-3,5-dienenitrile

C9H10FN — CID 143429321

IUPAC(3Z)-3-ethyl-5-fluoro-2-methylidenehexa-3,5-dienenitrile
SMILESC=C(F)/C=C(/CC)C(=C)C#N
InChIInChI=1S/C9H10FN/c1-4-9(5-8(3)10)7(2)6-11/h5H,2-4H2,1H3/b9-5-
InChIKeyONGSTGUEOQJYHQ-UITAMQMPSA-N
MW151.18 g/mol
LogP2.89
Rot. Bonds3

About (3Z)-3-ethyl-5-fluoro-2-methylidenehexa-3,5-dienenitrile

(3Z)-3-ethyl-5-fluoro-2-methylidenehexa-3,5-dienenitrile (PubChem CID 143429321) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is (3Z)-3-ethyl-5-fluoro-2-methylidenehexa-3,5-dienenitrile.

Molecular Properties

Compound Name(3Z)-3-ethyl-5-fluoro-2-methylidenehexa-3,5-dienenitrile
PubChem CID143429321
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name(3Z)-3-ethyl-5-fluoro-2-methylidenehexa-3,5-dienenitrile
SMILESC=C(F)/C=C(/CC)C(=C)C#N
InChIInChI=1S/C9H10FN/c1-4-9(5-8(3)10)7(2)6-11/h5H,2-4H2,1H3/b9-5-
InChIKeyONGSTGUEOQJYHQ-UITAMQMPSA-N
XLogP2.89
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethyl-5-fluoro-2-methylidenehexa-3,5-dienenitrile?
The IUPAC name of (3Z)-3-ethyl-5-fluoro-2-methylidenehexa-3,5-dienenitrile (CID 143429321) is (3Z)-3-ethyl-5-fluoro-2-methylidenehexa-3,5-dienenitrile.
What is the SMILES notation for (3Z)-3-ethyl-5-fluoro-2-methylidenehexa-3,5-dienenitrile?
The canonical SMILES for (3Z)-3-ethyl-5-fluoro-2-methylidenehexa-3,5-dienenitrile is C=C(F)/C=C(/CC)C(=C)C#N.
What is the InChIKey of (3Z)-3-ethyl-5-fluoro-2-methylidenehexa-3,5-dienenitrile?
The InChIKey is ONGSTGUEOQJYHQ-UITAMQMPSA-N. The full InChI is InChI=1S/C9H10FN/c1-4-9(5-8(3)10)7(2)6-11/h5H,2-4H2,1H3/b9-5-.
What are the key properties of (3Z)-3-ethyl-5-fluoro-2-methylidenehexa-3,5-dienenitrile?
(3Z)-3-ethyl-5-fluoro-2-methylidenehexa-3,5-dienenitrile has a molecular weight of 151.18 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethyl-5-fluoro-2-methylidenehexa-3,5-dienenitrile is sourced from PubChem (CID 143429321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).