(E)-2-(2-aminoprop-2-enylideneamino)-4-fluoro-3-methylhex-2-enenitrile

C10H14FN3 — CID 166664511

IUPAC(E)-2-(2-aminoprop-2-enylideneamino)-4-fluoro-3-methylhex-2-enenitrile
SMILESC=C(N)/C=N/C(C#N)=C(\C)C(F)CC
InChIInChI=1S/C10H14FN3/c1-4-9(11)8(3)10(5-12)14-6-7(2)13/h6,9H,2,4,13H2,1,3H3/b10-8+,14-6+
InChIKeyMHTDONMXUFPKJT-CKGOAGCQSA-N
MW195.24 g/mol
LogP2.08
Rot. Bonds4

About (E)-2-(2-aminoprop-2-enylideneamino)-4-fluoro-3-methylhex-2-enenitrile

(E)-2-(2-aminoprop-2-enylideneamino)-4-fluoro-3-methylhex-2-enenitrile (PubChem CID 166664511) has the molecular formula C10H14FN3 and a molecular weight of 195.24 g/mol. Its IUPAC name is (E)-2-(2-aminoprop-2-enylideneamino)-4-fluoro-3-methylhex-2-enenitrile.

Molecular Properties

Compound Name(E)-2-(2-aminoprop-2-enylideneamino)-4-fluoro-3-methylhex-2-enenitrile
PubChem CID166664511
Molecular FormulaC10H14FN3
Molecular Weight195.24 g/mol
Exact Mass195.12
IUPAC Name(E)-2-(2-aminoprop-2-enylideneamino)-4-fluoro-3-methylhex-2-enenitrile
SMILESC=C(N)/C=N/C(C#N)=C(\C)C(F)CC
InChIInChI=1S/C10H14FN3/c1-4-9(11)8(3)10(5-12)14-6-7(2)13/h6,9H,2,4,13H2,1,3H3/b10-8+,14-6+
InChIKeyMHTDONMXUFPKJT-CKGOAGCQSA-N
XLogP2.08
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(2-aminoprop-2-enylideneamino)-4-fluoro-3-methylhex-2-enenitrile?
The IUPAC name of (E)-2-(2-aminoprop-2-enylideneamino)-4-fluoro-3-methylhex-2-enenitrile (CID 166664511) is (E)-2-(2-aminoprop-2-enylideneamino)-4-fluoro-3-methylhex-2-enenitrile.
What is the SMILES notation for (E)-2-(2-aminoprop-2-enylideneamino)-4-fluoro-3-methylhex-2-enenitrile?
The canonical SMILES for (E)-2-(2-aminoprop-2-enylideneamino)-4-fluoro-3-methylhex-2-enenitrile is C=C(N)/C=N/C(C#N)=C(\C)C(F)CC.
What is the InChIKey of (E)-2-(2-aminoprop-2-enylideneamino)-4-fluoro-3-methylhex-2-enenitrile?
The InChIKey is MHTDONMXUFPKJT-CKGOAGCQSA-N. The full InChI is InChI=1S/C10H14FN3/c1-4-9(11)8(3)10(5-12)14-6-7(2)13/h6,9H,2,4,13H2,1,3H3/b10-8+,14-6+.
What are the key properties of (E)-2-(2-aminoprop-2-enylideneamino)-4-fluoro-3-methylhex-2-enenitrile?
(E)-2-(2-aminoprop-2-enylideneamino)-4-fluoro-3-methylhex-2-enenitrile has a molecular weight of 195.24 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-aminoprop-2-enylideneamino)-4-fluoro-3-methylhex-2-enenitrile is sourced from PubChem (CID 166664511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).