(2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienenitrile

C8H8FN — CID 143717901

IUPAC(2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienenitrile
SMILESC=C/C(C#N)=C(F)\C=C/C
InChIInChI=1S/C8H8FN/c1-3-5-8(9)7(4-2)6-10/h3-5H,2H2,1H3/b5-3-,8-7-
InChIKeyAYWNNZVUSXYCPX-OVRZELKPSA-N
MW137.16 g/mol
LogP2.50
Rot. Bonds2

About (2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienenitrile

(2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienenitrile (PubChem CID 143717901) has the molecular formula C8H8FN and a molecular weight of 137.16 g/mol. Its IUPAC name is (2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienenitrile.

Molecular Properties

Compound Name(2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienenitrile
PubChem CID143717901
Molecular FormulaC8H8FN
Molecular Weight137.16 g/mol
Exact Mass137.06
IUPAC Name(2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienenitrile
SMILESC=C/C(C#N)=C(F)\C=C/C
InChIInChI=1S/C8H8FN/c1-3-5-8(9)7(4-2)6-10/h3-5H,2H2,1H3/b5-3-,8-7-
InChIKeyAYWNNZVUSXYCPX-OVRZELKPSA-N
XLogP2.50
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 52.50
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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Related Compounds

but-2-enoic acid;2-ethenyl-3-methylpenta-2,4-dienenitrile
CID 157132961
(2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile
CID 142139467
(2Z,4Z)-3-(chloromethyl)-2-ethenylhexa-2,4-dienenitrile
CID 163485118
(2Z)-2-[fluoro-(methylideneamino)methylidene]but-3-enenitrile
CID 143883028
(4E,6Z)-4-ethenyl-5-fluoro-3-methylideneocta-1,4,6-triene
CID 143567445
(2E,4Z)-2-ethenyl-3-methyl-4-prop-1-en-2-ylhexa-2,4-dienenitrile
CID 143819014
(2Z,4Z,6Z)-3-fluoro-2,5-dimethylocta-2,4,6-trienenitrile
CID 146499155
(2Z,4E)-2,3-difluorohexa-2,4-diene
CID 142531595
(2Z)-2,3-dicyanopenta-2,4-dienoic acid
CID 87450183
(3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene
CID 143399324
(2Z,4Z)-2-ethenyl-N-[(Z)-ethylideneamino]-3-fluorohexa-2,4-dien-1-amine
CID 138699183
ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile
CID 143537599

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienenitrile?
The IUPAC name of (2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienenitrile (CID 143717901) is (2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienenitrile.
What is the SMILES notation for (2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienenitrile?
The canonical SMILES for (2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienenitrile is C=C/C(C#N)=C(F)\C=C/C.
What is the InChIKey of (2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienenitrile?
The InChIKey is AYWNNZVUSXYCPX-OVRZELKPSA-N. The full InChI is InChI=1S/C8H8FN/c1-3-5-8(9)7(4-2)6-10/h3-5H,2H2,1H3/b5-3-,8-7-.
What are the key properties of (2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienenitrile?
(2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienenitrile has a molecular weight of 137.16 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienenitrile is sourced from PubChem (CID 143717901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).