(2E,4E)-5-fluoro-N,2,6-trimethylhepta-2,4,6-trienamide

C10H14FNO — CID 142523117

IUPAC(2E,4E)-5-fluoro-N,2,6-trimethylhepta-2,4,6-trienamide
SMILESC=C(C)/C(F)=C\C=C(/C)C(=O)NC
InChIInChI=1S/C10H14FNO/c1-7(2)9(11)6-5-8(3)10(13)12-4/h5-6H,1H2,2-4H3,(H,12,13)/b8-5+,9-6+
InChIKeyDVCBTXQAXOMQRP-XVYDYJIPSA-N
MW183.23 g/mol
LogP2.11
Rot. Bonds3

About (2E,4E)-5-fluoro-N,2,6-trimethylhepta-2,4,6-trienamide

(2E,4E)-5-fluoro-N,2,6-trimethylhepta-2,4,6-trienamide (PubChem CID 142523117) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is (2E,4E)-5-fluoro-N,2,6-trimethylhepta-2,4,6-trienamide.

Molecular Properties

Compound Name(2E,4E)-5-fluoro-N,2,6-trimethylhepta-2,4,6-trienamide
PubChem CID142523117
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name(2E,4E)-5-fluoro-N,2,6-trimethylhepta-2,4,6-trienamide
SMILESC=C(C)/C(F)=C\C=C(/C)C(=O)NC
InChIInChI=1S/C10H14FNO/c1-7(2)9(11)6-5-8(3)10(13)12-4/h5-6H,1H2,2-4H3,(H,12,13)/b8-5+,9-6+
InChIKeyDVCBTXQAXOMQRP-XVYDYJIPSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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)-5-fluoro-N,2,6-trimethylhepta-2,4,6-trienamide?
The IUPAC name of (2E,4E)-5-fluoro-N,2,6-trimethylhepta-2,4,6-trienamide (CID 142523117) is (2E,4E)-5-fluoro-N,2,6-trimethylhepta-2,4,6-trienamide.
What is the SMILES notation for (2E,4E)-5-fluoro-N,2,6-trimethylhepta-2,4,6-trienamide?
The canonical SMILES for (2E,4E)-5-fluoro-N,2,6-trimethylhepta-2,4,6-trienamide is C=C(C)/C(F)=C\C=C(/C)C(=O)NC.
What is the InChIKey of (2E,4E)-5-fluoro-N,2,6-trimethylhepta-2,4,6-trienamide?
The InChIKey is DVCBTXQAXOMQRP-XVYDYJIPSA-N. The full InChI is InChI=1S/C10H14FNO/c1-7(2)9(11)6-5-8(3)10(13)12-4/h5-6H,1H2,2-4H3,(H,12,13)/b8-5+,9-6+.
What are the key properties of (2E,4E)-5-fluoro-N,2,6-trimethylhepta-2,4,6-trienamide?
(2E,4E)-5-fluoro-N,2,6-trimethylhepta-2,4,6-trienamide has a molecular weight of 183.23 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-fluoro-N,2,6-trimethylhepta-2,4,6-trienamide is sourced from PubChem (CID 142523117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).