(2Z,3E)-2-ethylidene-3-fluoro-N-methoxy-N-methylhexa-3,5-dienamide

C10H14FNO2 — CID 88885633

IUPAC(2Z,3E)-2-ethylidene-3-fluoro-N-methoxy-N-methylhexa-3,5-dienamide
SMILESC=C/C=C(F)\C(=C/C)C(=O)N(C)OC
InChIInChI=1S/C10H14FNO2/c1-5-7-9(11)8(6-2)10(13)12(3)14-4/h5-7H,1H2,2-4H3/b8-6+,9-7+
InChIKeyZYSMTXYMZTUXPS-CDJQDVQCSA-N
MW199.22 g/mol
LogP1.99
Rot. Bonds4

About (2Z,3E)-2-ethylidene-3-fluoro-N-methoxy-N-methylhexa-3,5-dienamide

(2Z,3E)-2-ethylidene-3-fluoro-N-methoxy-N-methylhexa-3,5-dienamide (PubChem CID 88885633) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is (2Z,3E)-2-ethylidene-3-fluoro-N-methoxy-N-methylhexa-3,5-dienamide.

Molecular Properties

Compound Name(2Z,3E)-2-ethylidene-3-fluoro-N-methoxy-N-methylhexa-3,5-dienamide
PubChem CID88885633
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name(2Z,3E)-2-ethylidene-3-fluoro-N-methoxy-N-methylhexa-3,5-dienamide
SMILESC=C/C=C(F)\C(=C/C)C(=O)N(C)OC
InChIInChI=1S/C10H14FNO2/c1-5-7-9(11)8(6-2)10(13)12(3)14-4/h5-7H,1H2,2-4H3/b8-6+,9-7+
InChIKeyZYSMTXYMZTUXPS-CDJQDVQCSA-N
XLogP1.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,3E)-2-ethylidene-3-fluoro-N-methoxy-N-methylhexa-3,5-dienamide with MolForge

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Related Compounds

N-methoxy-N-methylbenzamide;yttrium
CID 59110510
4-chloro-7-fluoro-N-methoxy-N-methylcyclohepta-1,4,6-triene-1-carboxamide
CID 89472573
3-(3,4-difluorocyclohexa-1,5-dien-1-yl)-N-methoxy-N-methylprop-2-enamide
CID 123501676
(E)-5,5,5-trifluoro-N-methoxy-N,3-dimethylpent-2-enamide
CID 129050764
ethane;(2E,3Z)-2-ethylidene-N-methoxy-N-methylhexa-3,5-dienamide;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol
CID 142161838
(2Z)-2-(1-fluoroethenyl)-N-methoxy-N-methylpenta-2,4-dienamide
CID 144340320
2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methoxy-N-methylacetamide
CID 144340324
6-chloro-5-fluoro-N-methoxy-N-methylcyclohexa-1,5-diene-1-carboxamide
CID 163538473
5,5,5-trifluoro-N-methoxy-N,3-dimethylpent-2-enamide
CID 173683758
(2Z,3E)-2-ethylidene-3-fluoro-N,N,4-trimethylhexa-3,5-dienamide
CID 177348094
(2E,4E)-N-methoxy-N,5,9-trimethyl-2,4,8-decatrienamide
CID 24977748
(2Z)-N-methoxy-N,2,3-trimethylhexa-2,5-dienamide
CID 146163777

Frequently Asked Questions

What is the IUPAC name of (2Z,3E)-2-ethylidene-3-fluoro-N-methoxy-N-methylhexa-3,5-dienamide?
The IUPAC name of (2Z,3E)-2-ethylidene-3-fluoro-N-methoxy-N-methylhexa-3,5-dienamide (CID 88885633) is (2Z,3E)-2-ethylidene-3-fluoro-N-methoxy-N-methylhexa-3,5-dienamide.
What is the SMILES notation for (2Z,3E)-2-ethylidene-3-fluoro-N-methoxy-N-methylhexa-3,5-dienamide?
The canonical SMILES for (2Z,3E)-2-ethylidene-3-fluoro-N-methoxy-N-methylhexa-3,5-dienamide is C=C/C=C(F)\C(=C/C)C(=O)N(C)OC.
What is the InChIKey of (2Z,3E)-2-ethylidene-3-fluoro-N-methoxy-N-methylhexa-3,5-dienamide?
The InChIKey is ZYSMTXYMZTUXPS-CDJQDVQCSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-5-7-9(11)8(6-2)10(13)12(3)14-4/h5-7H,1H2,2-4H3/b8-6+,9-7+.
What are the key properties of (2Z,3E)-2-ethylidene-3-fluoro-N-methoxy-N-methylhexa-3,5-dienamide?
(2Z,3E)-2-ethylidene-3-fluoro-N-methoxy-N-methylhexa-3,5-dienamide has a molecular weight of 199.22 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3E)-2-ethylidene-3-fluoro-N-methoxy-N-methylhexa-3,5-dienamide is sourced from PubChem (CID 88885633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).