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

C15H30FNO — CID 144808711

IUPAC(2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide;ethane
SMILESCC.CC.CCNC(=O)/C=C/CC(/C=C/F)CC
InChIInChI=1S/C11H18FNO.2C2H6/c1-3-10(8-9-12)6-5-7-11(14)13-4-2;2*1-2/h5,7-10H,3-4,6H2,1-2H3,(H,13,14);2*1-2H3/b7-5+,9-8+;;
InChIKeyUPENOPUHVRCQBR-ZWWCIZIWSA-N
MW259.41 g/mol
LogP4.63
Rot. Bonds6

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

(2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide;ethane (PubChem CID 144808711) has the molecular formula C15H30FNO and a molecular weight of 259.41 g/mol. Its IUPAC name is (2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide;ethane.

Molecular Properties

Compound Name(2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide;ethane
PubChem CID144808711
Molecular FormulaC15H30FNO
Molecular Weight259.41 g/mol
Exact Mass259.23
IUPAC Name(2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide;ethane
SMILESCC.CC.CCNC(=O)/C=C/CC(/C=C/F)CC
InChIInChI=1S/C11H18FNO.2C2H6/c1-3-10(8-9-12)6-5-7-11(14)13-4-2;2*1-2/h5,7-10H,3-4,6H2,1-2H3,(H,13,14);2*1-2H3/b7-5+,9-8+;;
InChIKeyUPENOPUHVRCQBR-ZWWCIZIWSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 54.63
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;ethane?
The IUPAC name of (2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide;ethane (CID 144808711) is (2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide;ethane.
What is the SMILES notation for (2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide;ethane?
The canonical SMILES for (2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide;ethane is CC.CC.CCNC(=O)/C=C/CC(/C=C/F)CC.
What is the InChIKey of (2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide;ethane?
The InChIKey is UPENOPUHVRCQBR-ZWWCIZIWSA-N. The full InChI is InChI=1S/C11H18FNO.2C2H6/c1-3-10(8-9-12)6-5-7-11(14)13-4-2;2*1-2/h5,7-10H,3-4,6H2,1-2H3,(H,13,14);2*1-2H3/b7-5+,9-8+;;.
What are the key properties of (2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide;ethane?
(2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide;ethane has a molecular weight of 259.41 g/mol, XLogP of 4.63, 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;ethane is sourced from PubChem (CID 144808711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).