(E,2Z)-2-(1-aminoethylidene)-4-fluorohex-3-enenitrile

C8H11FN2 — CID 89148270

IUPAC(E,2Z)-2-(1-aminoethylidene)-4-fluorohex-3-enenitrile
SMILESCC/C(F)=C\C(C#N)=C(/C)N
InChIInChI=1S/C8H11FN2/c1-3-8(9)4-7(5-10)6(2)11/h4H,3,11H2,1-2H3/b7-6-,8-4+
InChIKeyBQSWMENSDXCOOE-AKAREZBESA-N
MW154.19 g/mol
LogP2.01
Rot. Bonds2

About (E,2Z)-2-(1-aminoethylidene)-4-fluorohex-3-enenitrile

(E,2Z)-2-(1-aminoethylidene)-4-fluorohex-3-enenitrile (PubChem CID 89148270) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is (E,2Z)-2-(1-aminoethylidene)-4-fluorohex-3-enenitrile.

Molecular Properties

Compound Name(E,2Z)-2-(1-aminoethylidene)-4-fluorohex-3-enenitrile
PubChem CID89148270
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name(E,2Z)-2-(1-aminoethylidene)-4-fluorohex-3-enenitrile
SMILESCC/C(F)=C\C(C#N)=C(/C)N
InChIInChI=1S/C8H11FN2/c1-3-8(9)4-7(5-10)6(2)11/h4H,3,11H2,1-2H3/b7-6-,8-4+
InChIKeyBQSWMENSDXCOOE-AKAREZBESA-N
XLogP2.01
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(2E,3E)-5-amino-2-ethylidene-3-(trifluoromethyl)hexa-3,5-dienenitrile
CID 87174310
(3E,5E)-5-amino-3-fluoro-4-methylocta-3,5,7-trienenitrile
CID 118656976
(2Z,4E)-5-amino-2-methyl-3-(trifluoromethyl)hexa-2,4-dienenitrile
CID 129036118
(3E,5E)-3-amino-5-fluoro-2-methylidenehepta-3,5-dienenitrile
CID 129170407
(E,2Z)-4-amino-2-(1-fluoroethylidene)pent-3-enenitrile
CID 134408808
(2E,4E)-4-fluoro-5-methylhepta-2,4-dien-2-amine
CID 137386081
(3E)-5-amino-3-fluoro-2-methylidenehexa-3,5-dienenitrile
CID 142522781
(3E,5Z)-3-amino-7-fluoro-2-methylideneocta-3,5-dienenitrile
CID 143332835
2-Amino-6-fluoro-7-methylcyclohepta-1,4,6-triene-1-carbonitrile
CID 144192307
(2Z)-3-(fluoromethyl)-5-methylhexa-2,4-dien-2-amine
CID 144501901
(2Z,4E)-5-amino-2-propan-2-yl-3-(trifluoromethyl)hexa-2,4-dienenitrile
CID 146329172
(3Z,5E)-5-amino-7-fluoro-2-methylidenehepta-3,5-dienenitrile
CID 146642451

Frequently Asked Questions

What is the IUPAC name of (E,2Z)-2-(1-aminoethylidene)-4-fluorohex-3-enenitrile?
The IUPAC name of (E,2Z)-2-(1-aminoethylidene)-4-fluorohex-3-enenitrile (CID 89148270) is (E,2Z)-2-(1-aminoethylidene)-4-fluorohex-3-enenitrile.
What is the SMILES notation for (E,2Z)-2-(1-aminoethylidene)-4-fluorohex-3-enenitrile?
The canonical SMILES for (E,2Z)-2-(1-aminoethylidene)-4-fluorohex-3-enenitrile is CC/C(F)=C\C(C#N)=C(/C)N.
What is the InChIKey of (E,2Z)-2-(1-aminoethylidene)-4-fluorohex-3-enenitrile?
The InChIKey is BQSWMENSDXCOOE-AKAREZBESA-N. The full InChI is InChI=1S/C8H11FN2/c1-3-8(9)4-7(5-10)6(2)11/h4H,3,11H2,1-2H3/b7-6-,8-4+.
What are the key properties of (E,2Z)-2-(1-aminoethylidene)-4-fluorohex-3-enenitrile?
(E,2Z)-2-(1-aminoethylidene)-4-fluorohex-3-enenitrile has a molecular weight of 154.19 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2Z)-2-(1-aminoethylidene)-4-fluorohex-3-enenitrile is sourced from PubChem (CID 89148270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).