2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine

C9H14FN — CID 90894312

IUPAC2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
SMILESC=CC(F)=CC(=CC)CNC
InChIInChI=1S/C9H14FN/c1-4-8(7-11-3)6-9(10)5-2/h4-6,11H,2,7H2,1,3H3
InChIKeyWOOPORJFJPENBB-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.19
Rot. Bonds4

About 2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine

2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine (PubChem CID 90894312) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
PubChem CID90894312
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
SMILESC=CC(F)=CC(=CC)CNC
InChIInChI=1S/C9H14FN/c1-4-8(7-11-3)6-9(10)5-2/h4-6,11H,2,7H2,1,3H3
InChIKeyWOOPORJFJPENBB-UHFFFAOYSA-N
XLogP2.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine?
The IUPAC name of 2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine (CID 90894312) is 2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine.
What is the SMILES notation for 2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine?
The canonical SMILES for 2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine is C=CC(F)=CC(=CC)CNC.
What is the InChIKey of 2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine?
The InChIKey is WOOPORJFJPENBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c1-4-8(7-11-3)6-9(10)5-2/h4-6,11H,2,7H2,1,3H3.
What are the key properties of 2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine?
2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine has a molecular weight of 155.22 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine is sourced from PubChem (CID 90894312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).