(2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide

C11H18FNO — CID 144808712

IUPAC(2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide
SMILESCCNC(=O)/C=C/CC(/C=C/F)CC
InChIInChI=1S/C11H18FNO/c1-3-10(8-9-12)6-5-7-11(14)13-4-2/h5,7-10H,3-4,6H2,1-2H3,(H,13,14)/b7-5+,9-8+
InChIKeyWPFMPQGBRVVEOL-ZIRGRKGMSA-N
MW199.27 g/mol
LogP2.58
Rot. Bonds6

About (2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide

(2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide (PubChem CID 144808712) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is (2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide.

Molecular Properties

Compound Name(2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide
PubChem CID144808712
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name(2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide
SMILESCCNC(=O)/C=C/CC(/C=C/F)CC
InChIInChI=1S/C11H18FNO/c1-3-10(8-9-12)6-5-7-11(14)13-4-2/h5,7-10H,3-4,6H2,1-2H3,(H,13,14)/b7-5+,9-8+
InChIKeyWPFMPQGBRVVEOL-ZIRGRKGMSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide?
The IUPAC name of (2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide (CID 144808712) is (2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide.
What is the SMILES notation for (2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide?
The canonical SMILES for (2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide is CCNC(=O)/C=C/CC(/C=C/F)CC.
What is the InChIKey of (2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide?
The InChIKey is WPFMPQGBRVVEOL-ZIRGRKGMSA-N. The full InChI is InChI=1S/C11H18FNO/c1-3-10(8-9-12)6-5-7-11(14)13-4-2/h5,7-10H,3-4,6H2,1-2H3,(H,13,14)/b7-5+,9-8+.
What are the key properties of (2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide?
(2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide has a molecular weight of 199.27 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide is sourced from PubChem (CID 144808712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).