2-fluoro-N-[(3R,4S)-4-methoxydec-1-en-3-yl]acetamide

C13H24FNO2 — CID 164672156

IUPAC2-fluoro-N-[(3R,4S)-4-methoxydec-1-en-3-yl]acetamide
SMILESC=C[C@@H](NC(=O)CF)[C@H](CCCCCC)OC
InChIInChI=1S/C13H24FNO2/c1-4-6-7-8-9-12(17-3)11(5-2)15-13(16)10-14/h5,11-12H,2,4,6-10H2,1,3H3,(H,15,16)/t11-,12+/m1/s1
InChIKeyRDPCFLPXZQSWJJ-NEPJUHHUSA-N
MW245.34 g/mol
LogP2.61
Rot. Bonds10

About 2-fluoro-N-[(3R,4S)-4-methoxydec-1-en-3-yl]acetamide

2-fluoro-N-[(3R,4S)-4-methoxydec-1-en-3-yl]acetamide (PubChem CID 164672156) has the molecular formula C13H24FNO2 and a molecular weight of 245.34 g/mol. Its IUPAC name is 2-fluoro-N-[(3R,4S)-4-methoxydec-1-en-3-yl]acetamide.

Molecular Properties

Compound Name2-fluoro-N-[(3R,4S)-4-methoxydec-1-en-3-yl]acetamide
PubChem CID164672156
Molecular FormulaC13H24FNO2
Molecular Weight245.34 g/mol
Exact Mass245.18
IUPAC Name2-fluoro-N-[(3R,4S)-4-methoxydec-1-en-3-yl]acetamide
SMILESC=C[C@@H](NC(=O)CF)[C@H](CCCCCC)OC
InChIInChI=1S/C13H24FNO2/c1-4-6-7-8-9-12(17-3)11(5-2)15-13(16)10-14/h5,11-12H,2,4,6-10H2,1,3H3,(H,15,16)/t11-,12+/m1/s1
InChIKeyRDPCFLPXZQSWJJ-NEPJUHHUSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3R,4S)-4-methoxydec-1-en-3-yl]acetamide?
The IUPAC name of 2-fluoro-N-[(3R,4S)-4-methoxydec-1-en-3-yl]acetamide (CID 164672156) is 2-fluoro-N-[(3R,4S)-4-methoxydec-1-en-3-yl]acetamide.
What is the SMILES notation for 2-fluoro-N-[(3R,4S)-4-methoxydec-1-en-3-yl]acetamide?
The canonical SMILES for 2-fluoro-N-[(3R,4S)-4-methoxydec-1-en-3-yl]acetamide is C=C[C@@H](NC(=O)CF)[C@H](CCCCCC)OC.
What is the InChIKey of 2-fluoro-N-[(3R,4S)-4-methoxydec-1-en-3-yl]acetamide?
The InChIKey is RDPCFLPXZQSWJJ-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H24FNO2/c1-4-6-7-8-9-12(17-3)11(5-2)15-13(16)10-14/h5,11-12H,2,4,6-10H2,1,3H3,(H,15,16)/t11-,12+/m1/s1.
What are the key properties of 2-fluoro-N-[(3R,4S)-4-methoxydec-1-en-3-yl]acetamide?
2-fluoro-N-[(3R,4S)-4-methoxydec-1-en-3-yl]acetamide has a molecular weight of 245.34 g/mol, XLogP of 2.61, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3R,4S)-4-methoxydec-1-en-3-yl]acetamide is sourced from PubChem (CID 164672156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).