(2Z)-3-fluoro-2,5-dimethylhexa-2,4-dienenitrile

C8H10FN — CID 146562761

IUPAC(2Z)-3-fluoro-2,5-dimethylhexa-2,4-dienenitrile
SMILESCC(C)=C/C(F)=C(\C)C#N
InChIInChI=1S/C8H10FN/c1-6(2)4-8(9)7(3)5-10/h4H,1-3H3/b8-7-
InChIKeyIIERGUSSWKHEDZ-FPLPWBNLSA-N
MW139.17 g/mol
LogP2.72
Rot. Bonds1

About (2Z)-3-fluoro-2,5-dimethylhexa-2,4-dienenitrile

(2Z)-3-fluoro-2,5-dimethylhexa-2,4-dienenitrile (PubChem CID 146562761) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is (2Z)-3-fluoro-2,5-dimethylhexa-2,4-dienenitrile.

Molecular Properties

Compound Name(2Z)-3-fluoro-2,5-dimethylhexa-2,4-dienenitrile
PubChem CID146562761
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name(2Z)-3-fluoro-2,5-dimethylhexa-2,4-dienenitrile
SMILESCC(C)=C/C(F)=C(\C)C#N
InChIInChI=1S/C8H10FN/c1-6(2)4-8(9)7(3)5-10/h4H,1-3H3/b8-7-
InChIKeyIIERGUSSWKHEDZ-FPLPWBNLSA-N
XLogP2.72
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 52.72
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)-3-fluoro-2,5-dimethylhexa-2,4-dienenitrile?
The IUPAC name of (2Z)-3-fluoro-2,5-dimethylhexa-2,4-dienenitrile (CID 146562761) is (2Z)-3-fluoro-2,5-dimethylhexa-2,4-dienenitrile.
What is the SMILES notation for (2Z)-3-fluoro-2,5-dimethylhexa-2,4-dienenitrile?
The canonical SMILES for (2Z)-3-fluoro-2,5-dimethylhexa-2,4-dienenitrile is CC(C)=C/C(F)=C(\C)C#N.
What is the InChIKey of (2Z)-3-fluoro-2,5-dimethylhexa-2,4-dienenitrile?
The InChIKey is IIERGUSSWKHEDZ-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H10FN/c1-6(2)4-8(9)7(3)5-10/h4H,1-3H3/b8-7-.
What are the key properties of (2Z)-3-fluoro-2,5-dimethylhexa-2,4-dienenitrile?
(2Z)-3-fluoro-2,5-dimethylhexa-2,4-dienenitrile has a molecular weight of 139.17 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-fluoro-2,5-dimethylhexa-2,4-dienenitrile is sourced from PubChem (CID 146562761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).