(Z)-4-(2-cyanoethylideneamino)-3-ethenyl-5,5,5-trifluoropent-3-enenitrile

C10H8F3N3 — CID 166913294

IUPAC(Z)-4-(2-cyanoethylideneamino)-3-ethenyl-5,5,5-trifluoropent-3-enenitrile
SMILESC=C/C(CC#N)=C(\N=C\CC#N)C(F)(F)F
InChIInChI=1S/C10H8F3N3/c1-2-8(4-6-15)9(10(11,12)13)16-7-3-5-14/h2,7H,1,3-4H2/b9-8+,16-7+
InChIKeyUQKMZWXWAKYJRV-QMZHZPTBSA-N
MW227.19 g/mol
LogP2.89
Rot. Bonds4

About (Z)-4-(2-cyanoethylideneamino)-3-ethenyl-5,5,5-trifluoropent-3-enenitrile

(Z)-4-(2-cyanoethylideneamino)-3-ethenyl-5,5,5-trifluoropent-3-enenitrile (PubChem CID 166913294) has the molecular formula C10H8F3N3 and a molecular weight of 227.19 g/mol. Its IUPAC name is (Z)-4-(2-cyanoethylideneamino)-3-ethenyl-5,5,5-trifluoropent-3-enenitrile.

Molecular Properties

Compound Name(Z)-4-(2-cyanoethylideneamino)-3-ethenyl-5,5,5-trifluoropent-3-enenitrile
PubChem CID166913294
Molecular FormulaC10H8F3N3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name(Z)-4-(2-cyanoethylideneamino)-3-ethenyl-5,5,5-trifluoropent-3-enenitrile
SMILESC=C/C(CC#N)=C(\N=C\CC#N)C(F)(F)F
InChIInChI=1S/C10H8F3N3/c1-2-8(4-6-15)9(10(11,12)13)16-7-3-5-14/h2,7H,1,3-4H2/b9-8+,16-7+
InChIKeyUQKMZWXWAKYJRV-QMZHZPTBSA-N
XLogP2.89
TPSA59.94 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2-cyanoethylideneamino)-3-ethenyl-5,5,5-trifluoropent-3-enenitrile?
The IUPAC name of (Z)-4-(2-cyanoethylideneamino)-3-ethenyl-5,5,5-trifluoropent-3-enenitrile (CID 166913294) is (Z)-4-(2-cyanoethylideneamino)-3-ethenyl-5,5,5-trifluoropent-3-enenitrile.
What is the SMILES notation for (Z)-4-(2-cyanoethylideneamino)-3-ethenyl-5,5,5-trifluoropent-3-enenitrile?
The canonical SMILES for (Z)-4-(2-cyanoethylideneamino)-3-ethenyl-5,5,5-trifluoropent-3-enenitrile is C=C/C(CC#N)=C(\N=C\CC#N)C(F)(F)F.
What is the InChIKey of (Z)-4-(2-cyanoethylideneamino)-3-ethenyl-5,5,5-trifluoropent-3-enenitrile?
The InChIKey is UQKMZWXWAKYJRV-QMZHZPTBSA-N. The full InChI is InChI=1S/C10H8F3N3/c1-2-8(4-6-15)9(10(11,12)13)16-7-3-5-14/h2,7H,1,3-4H2/b9-8+,16-7+.
What are the key properties of (Z)-4-(2-cyanoethylideneamino)-3-ethenyl-5,5,5-trifluoropent-3-enenitrile?
(Z)-4-(2-cyanoethylideneamino)-3-ethenyl-5,5,5-trifluoropent-3-enenitrile has a molecular weight of 227.19 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-cyanoethylideneamino)-3-ethenyl-5,5,5-trifluoropent-3-enenitrile is sourced from PubChem (CID 166913294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).