(E)-2-fluoro-N-methoxy-N-methyldec-2-enamide

C12H22FNO2 — CID 42646128

IUPAC(E)-2-fluoro-N-methoxy-N-methyldec-2-enamide
SMILESCCCCCCC/C=C(/F)C(=O)N(C)OC
InChIInChI=1S/C12H22FNO2/c1-4-5-6-7-8-9-10-11(13)12(15)14(2)16-3/h10H,4-9H2,1-3H3/b11-10+
InChIKeyFZVIVHNHEZKHRO-ZHACJKMWSA-N
MW231.31 g/mol
LogP3.22
Rot. Bonds8

About (E)-2-fluoro-N-methoxy-N-methyldec-2-enamide

(E)-2-fluoro-N-methoxy-N-methyldec-2-enamide (PubChem CID 42646128) has the molecular formula C12H22FNO2 and a molecular weight of 231.31 g/mol. Its IUPAC name is (E)-2-fluoro-N-methoxy-N-methyldec-2-enamide.

Molecular Properties

Compound Name(E)-2-fluoro-N-methoxy-N-methyldec-2-enamide
PubChem CID42646128
Molecular FormulaC12H22FNO2
Molecular Weight231.31 g/mol
Exact Mass231.16
IUPAC Name(E)-2-fluoro-N-methoxy-N-methyldec-2-enamide
SMILESCCCCCCC/C=C(/F)C(=O)N(C)OC
InChIInChI=1S/C12H22FNO2/c1-4-5-6-7-8-9-10-11(13)12(15)14(2)16-3/h10H,4-9H2,1-3H3/b11-10+
InChIKeyFZVIVHNHEZKHRO-ZHACJKMWSA-N
XLogP3.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 53.22
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 (E)-2-fluoro-N-methoxy-N-methyldec-2-enamide?
The IUPAC name of (E)-2-fluoro-N-methoxy-N-methyldec-2-enamide (CID 42646128) is (E)-2-fluoro-N-methoxy-N-methyldec-2-enamide.
What is the SMILES notation for (E)-2-fluoro-N-methoxy-N-methyldec-2-enamide?
The canonical SMILES for (E)-2-fluoro-N-methoxy-N-methyldec-2-enamide is CCCCCCC/C=C(/F)C(=O)N(C)OC.
What is the InChIKey of (E)-2-fluoro-N-methoxy-N-methyldec-2-enamide?
The InChIKey is FZVIVHNHEZKHRO-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H22FNO2/c1-4-5-6-7-8-9-10-11(13)12(15)14(2)16-3/h10H,4-9H2,1-3H3/b11-10+.
What are the key properties of (E)-2-fluoro-N-methoxy-N-methyldec-2-enamide?
(E)-2-fluoro-N-methoxy-N-methyldec-2-enamide has a molecular weight of 231.31 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-N-methoxy-N-methyldec-2-enamide is sourced from PubChem (CID 42646128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).