(Z)-2-fluoro-N-methoxy-N-methyldodec-2-enamide

C14H26FNO2 — CID 135004895

IUPAC(Z)-2-fluoro-N-methoxy-N-methyldodec-2-enamide
SMILESCCCCCCCCC/C=C(\F)C(=O)N(C)OC
InChIInChI=1S/C14H26FNO2/c1-4-5-6-7-8-9-10-11-12-13(15)14(17)16(2)18-3/h12H,4-11H2,1-3H3/b13-12-
InChIKeyUSBZNHSRIPFLQL-SEYXRHQNSA-N
MW259.36 g/mol
LogP4.00
Rot. Bonds10

About (Z)-2-fluoro-N-methoxy-N-methyldodec-2-enamide

(Z)-2-fluoro-N-methoxy-N-methyldodec-2-enamide (PubChem CID 135004895) has the molecular formula C14H26FNO2 and a molecular weight of 259.36 g/mol. Its IUPAC name is (Z)-2-fluoro-N-methoxy-N-methyldodec-2-enamide.

Molecular Properties

Compound Name(Z)-2-fluoro-N-methoxy-N-methyldodec-2-enamide
PubChem CID135004895
Molecular FormulaC14H26FNO2
Molecular Weight259.36 g/mol
Exact Mass259.19
IUPAC Name(Z)-2-fluoro-N-methoxy-N-methyldodec-2-enamide
SMILESCCCCCCCCC/C=C(\F)C(=O)N(C)OC
InChIInChI=1S/C14H26FNO2/c1-4-5-6-7-8-9-10-11-12-13(15)14(17)16(2)18-3/h12H,4-11H2,1-3H3/b13-12-
InChIKeyUSBZNHSRIPFLQL-SEYXRHQNSA-N
XLogP4.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-N-methoxy-N-methyldodec-2-enamide?
The IUPAC name of (Z)-2-fluoro-N-methoxy-N-methyldodec-2-enamide (CID 135004895) is (Z)-2-fluoro-N-methoxy-N-methyldodec-2-enamide.
What is the SMILES notation for (Z)-2-fluoro-N-methoxy-N-methyldodec-2-enamide?
The canonical SMILES for (Z)-2-fluoro-N-methoxy-N-methyldodec-2-enamide is CCCCCCCCC/C=C(\F)C(=O)N(C)OC.
What is the InChIKey of (Z)-2-fluoro-N-methoxy-N-methyldodec-2-enamide?
The InChIKey is USBZNHSRIPFLQL-SEYXRHQNSA-N. The full InChI is InChI=1S/C14H26FNO2/c1-4-5-6-7-8-9-10-11-12-13(15)14(17)16(2)18-3/h12H,4-11H2,1-3H3/b13-12-.
What are the key properties of (Z)-2-fluoro-N-methoxy-N-methyldodec-2-enamide?
(Z)-2-fluoro-N-methoxy-N-methyldodec-2-enamide has a molecular weight of 259.36 g/mol, XLogP of 4.00, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-N-methoxy-N-methyldodec-2-enamide is sourced from PubChem (CID 135004895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).