(2Z)-2-(fluoromethyl)-5-methylhexa-2,4-dienenitrile

C8H10FN — CID 146550376

IUPAC(2Z)-2-(fluoromethyl)-5-methylhexa-2,4-dienenitrile
SMILESCC(C)=C/C=C(/C#N)CF
InChIInChI=1S/C8H10FN/c1-7(2)3-4-8(5-9)6-10/h3-4H,5H2,1-2H3/b8-4+
InChIKeyJSVHBJVSTLMYCW-XBXARRHUSA-N
MW139.17 g/mol
LogP2.37
Rot. Bonds2

About (2Z)-2-(fluoromethyl)-5-methylhexa-2,4-dienenitrile

(2Z)-2-(fluoromethyl)-5-methylhexa-2,4-dienenitrile (PubChem CID 146550376) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is (2Z)-2-(fluoromethyl)-5-methylhexa-2,4-dienenitrile.

Molecular Properties

Compound Name(2Z)-2-(fluoromethyl)-5-methylhexa-2,4-dienenitrile
PubChem CID146550376
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name(2Z)-2-(fluoromethyl)-5-methylhexa-2,4-dienenitrile
SMILESCC(C)=C/C=C(/C#N)CF
InChIInChI=1S/C8H10FN/c1-7(2)3-4-8(5-9)6-10/h3-4H,5H2,1-2H3/b8-4+
InChIKeyJSVHBJVSTLMYCW-XBXARRHUSA-N
XLogP2.37
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 52.37
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 (2Z)-2-(fluoromethyl)-5-methylhexa-2,4-dienenitrile?
The IUPAC name of (2Z)-2-(fluoromethyl)-5-methylhexa-2,4-dienenitrile (CID 146550376) is (2Z)-2-(fluoromethyl)-5-methylhexa-2,4-dienenitrile.
What is the SMILES notation for (2Z)-2-(fluoromethyl)-5-methylhexa-2,4-dienenitrile?
The canonical SMILES for (2Z)-2-(fluoromethyl)-5-methylhexa-2,4-dienenitrile is CC(C)=C/C=C(/C#N)CF.
What is the InChIKey of (2Z)-2-(fluoromethyl)-5-methylhexa-2,4-dienenitrile?
The InChIKey is JSVHBJVSTLMYCW-XBXARRHUSA-N. The full InChI is InChI=1S/C8H10FN/c1-7(2)3-4-8(5-9)6-10/h3-4H,5H2,1-2H3/b8-4+.
What are the key properties of (2Z)-2-(fluoromethyl)-5-methylhexa-2,4-dienenitrile?
(2Z)-2-(fluoromethyl)-5-methylhexa-2,4-dienenitrile has a molecular weight of 139.17 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(fluoromethyl)-5-methylhexa-2,4-dienenitrile is sourced from PubChem (CID 146550376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).