(2Z)-N-ethyl-2-(fluoromethyl)-4-formylpenta-2,4-dienamide

C9H12FNO2 — CID 118287724

IUPAC(2Z)-N-ethyl-2-(fluoromethyl)-4-formylpenta-2,4-dienamide
SMILESC=C(C=O)/C=C(\CF)C(=O)NCC
InChIInChI=1S/C9H12FNO2/c1-3-11-9(13)8(5-10)4-7(2)6-12/h4,6H,2-3,5H2,1H3,(H,11,13)/b8-4+
InChIKeyUFZXJMWPCYMOJR-XBXARRHUSA-N
MW185.20 g/mol
LogP0.77
Rot. Bonds5

About (2Z)-N-ethyl-2-(fluoromethyl)-4-formylpenta-2,4-dienamide

(2Z)-N-ethyl-2-(fluoromethyl)-4-formylpenta-2,4-dienamide (PubChem CID 118287724) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is (2Z)-N-ethyl-2-(fluoromethyl)-4-formylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2Z)-N-ethyl-2-(fluoromethyl)-4-formylpenta-2,4-dienamide
PubChem CID118287724
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name(2Z)-N-ethyl-2-(fluoromethyl)-4-formylpenta-2,4-dienamide
SMILESC=C(C=O)/C=C(\CF)C(=O)NCC
InChIInChI=1S/C9H12FNO2/c1-3-11-9(13)8(5-10)4-7(2)6-12/h4,6H,2-3,5H2,1H3,(H,11,13)/b8-4+
InChIKeyUFZXJMWPCYMOJR-XBXARRHUSA-N
XLogP0.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 (2Z)-N-ethyl-2-(fluoromethyl)-4-formylpenta-2,4-dienamide?
The IUPAC name of (2Z)-N-ethyl-2-(fluoromethyl)-4-formylpenta-2,4-dienamide (CID 118287724) is (2Z)-N-ethyl-2-(fluoromethyl)-4-formylpenta-2,4-dienamide.
What is the SMILES notation for (2Z)-N-ethyl-2-(fluoromethyl)-4-formylpenta-2,4-dienamide?
The canonical SMILES for (2Z)-N-ethyl-2-(fluoromethyl)-4-formylpenta-2,4-dienamide is C=C(C=O)/C=C(\CF)C(=O)NCC.
What is the InChIKey of (2Z)-N-ethyl-2-(fluoromethyl)-4-formylpenta-2,4-dienamide?
The InChIKey is UFZXJMWPCYMOJR-XBXARRHUSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-3-11-9(13)8(5-10)4-7(2)6-12/h4,6H,2-3,5H2,1H3,(H,11,13)/b8-4+.
What are the key properties of (2Z)-N-ethyl-2-(fluoromethyl)-4-formylpenta-2,4-dienamide?
(2Z)-N-ethyl-2-(fluoromethyl)-4-formylpenta-2,4-dienamide has a molecular weight of 185.20 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-ethyl-2-(fluoromethyl)-4-formylpenta-2,4-dienamide is sourced from PubChem (CID 118287724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).