7-fluoro-2-(1-methoxyethylidene)-4-methylidenedeca-5,7-dien-1-imine

C14H20FNO — CID 90897984

IUPAC7-fluoro-2-(1-methoxyethylidene)-4-methylidenedeca-5,7-dien-1-imine
SMILES[H]/N=C/C(CC(=C)C=CC(F)=CCC)=C(C)OC
InChIInChI=1S/C14H20FNO/c1-5-6-14(15)8-7-11(2)9-13(10-16)12(3)17-4/h6-8,10,16H,2,5,9H2,1,3-4H3/b8-7?,13-12?,14-6?,16-10+
InChIKeyIIDZMJWSSMDATA-YBDFXNJQSA-N
MW237.32 g/mol
LogP4.32
Rot. Bonds7

About 7-fluoro-2-(1-methoxyethylidene)-4-methylidenedeca-5,7-dien-1-imine

7-fluoro-2-(1-methoxyethylidene)-4-methylidenedeca-5,7-dien-1-imine (PubChem CID 90897984) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 7-fluoro-2-(1-methoxyethylidene)-4-methylidenedeca-5,7-dien-1-imine.

Molecular Properties

Compound Name7-fluoro-2-(1-methoxyethylidene)-4-methylidenedeca-5,7-dien-1-imine
PubChem CID90897984
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name7-fluoro-2-(1-methoxyethylidene)-4-methylidenedeca-5,7-dien-1-imine
SMILES[H]/N=C/C(CC(=C)C=CC(F)=CCC)=C(C)OC
InChIInChI=1S/C14H20FNO/c1-5-6-14(15)8-7-11(2)9-13(10-16)12(3)17-4/h6-8,10,16H,2,5,9H2,1,3-4H3/b8-7?,13-12?,14-6?,16-10+
InChIKeyIIDZMJWSSMDATA-YBDFXNJQSA-N
XLogP4.32
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 7-fluoro-2-(1-methoxyethylidene)-4-methylidenedeca-5,7-dien-1-imine?
The IUPAC name of 7-fluoro-2-(1-methoxyethylidene)-4-methylidenedeca-5,7-dien-1-imine (CID 90897984) is 7-fluoro-2-(1-methoxyethylidene)-4-methylidenedeca-5,7-dien-1-imine.
What is the SMILES notation for 7-fluoro-2-(1-methoxyethylidene)-4-methylidenedeca-5,7-dien-1-imine?
The canonical SMILES for 7-fluoro-2-(1-methoxyethylidene)-4-methylidenedeca-5,7-dien-1-imine is [H]/N=C/C(CC(=C)C=CC(F)=CCC)=C(C)OC.
What is the InChIKey of 7-fluoro-2-(1-methoxyethylidene)-4-methylidenedeca-5,7-dien-1-imine?
The InChIKey is IIDZMJWSSMDATA-YBDFXNJQSA-N. The full InChI is InChI=1S/C14H20FNO/c1-5-6-14(15)8-7-11(2)9-13(10-16)12(3)17-4/h6-8,10,16H,2,5,9H2,1,3-4H3/b8-7?,13-12?,14-6?,16-10+.
What are the key properties of 7-fluoro-2-(1-methoxyethylidene)-4-methylidenedeca-5,7-dien-1-imine?
7-fluoro-2-(1-methoxyethylidene)-4-methylidenedeca-5,7-dien-1-imine has a molecular weight of 237.32 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(1-methoxyethylidene)-4-methylidenedeca-5,7-dien-1-imine is sourced from PubChem (CID 90897984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).