(2E,4E,6E)-3-ethyl-7-formyl-N,4-dimethylnona-2,4,6,8-tetraenimidoyl fluoride

C14H18FNO — CID 167162444

IUPAC(2E,4E,6E)-3-ethyl-7-formyl-N,4-dimethylnona-2,4,6,8-tetraenimidoyl fluoride
SMILESC=C/C(C=O)=C\C=C(C)\C(=C\C(F)=N\C)CC
InChIInChI=1S/C14H18FNO/c1-5-12(10-17)8-7-11(3)13(6-2)9-14(15)16-4/h5,7-10H,1,6H2,2-4H3/b11-7+,12-8+,13-9+,16-14-
InChIKeyDOJSYNIYBMJFCS-PNHVINKKSA-N
MW235.30 g/mol
LogP3.58
Rot. Bonds6

About (2E,4E,6E)-3-ethyl-7-formyl-N,4-dimethylnona-2,4,6,8-tetraenimidoyl fluoride

(2E,4E,6E)-3-ethyl-7-formyl-N,4-dimethylnona-2,4,6,8-tetraenimidoyl fluoride (PubChem CID 167162444) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is (2E,4E,6E)-3-ethyl-7-formyl-N,4-dimethylnona-2,4,6,8-tetraenimidoyl fluoride.

Molecular Properties

Compound Name(2E,4E,6E)-3-ethyl-7-formyl-N,4-dimethylnona-2,4,6,8-tetraenimidoyl fluoride
PubChem CID167162444
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name(2E,4E,6E)-3-ethyl-7-formyl-N,4-dimethylnona-2,4,6,8-tetraenimidoyl fluoride
SMILESC=C/C(C=O)=C\C=C(C)\C(=C\C(F)=N\C)CC
InChIInChI=1S/C14H18FNO/c1-5-12(10-17)8-7-11(3)13(6-2)9-14(15)16-4/h5,7-10H,1,6H2,2-4H3/b11-7+,12-8+,13-9+,16-14-
InChIKeyDOJSYNIYBMJFCS-PNHVINKKSA-N
XLogP3.58
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-3-ethyl-7-formyl-N,4-dimethylnona-2,4,6,8-tetraenimidoyl fluoride?
The IUPAC name of (2E,4E,6E)-3-ethyl-7-formyl-N,4-dimethylnona-2,4,6,8-tetraenimidoyl fluoride (CID 167162444) is (2E,4E,6E)-3-ethyl-7-formyl-N,4-dimethylnona-2,4,6,8-tetraenimidoyl fluoride.
What is the SMILES notation for (2E,4E,6E)-3-ethyl-7-formyl-N,4-dimethylnona-2,4,6,8-tetraenimidoyl fluoride?
The canonical SMILES for (2E,4E,6E)-3-ethyl-7-formyl-N,4-dimethylnona-2,4,6,8-tetraenimidoyl fluoride is C=C/C(C=O)=C\C=C(C)\C(=C\C(F)=N\C)CC.
What is the InChIKey of (2E,4E,6E)-3-ethyl-7-formyl-N,4-dimethylnona-2,4,6,8-tetraenimidoyl fluoride?
The InChIKey is DOJSYNIYBMJFCS-PNHVINKKSA-N. The full InChI is InChI=1S/C14H18FNO/c1-5-12(10-17)8-7-11(3)13(6-2)9-14(15)16-4/h5,7-10H,1,6H2,2-4H3/b11-7+,12-8+,13-9+,16-14-.
What are the key properties of (2E,4E,6E)-3-ethyl-7-formyl-N,4-dimethylnona-2,4,6,8-tetraenimidoyl fluoride?
(2E,4E,6E)-3-ethyl-7-formyl-N,4-dimethylnona-2,4,6,8-tetraenimidoyl fluoride has a molecular weight of 235.30 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-3-ethyl-7-formyl-N,4-dimethylnona-2,4,6,8-tetraenimidoyl fluoride is sourced from PubChem (CID 167162444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).