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

C11H20FNO2 — CID 166444522

IUPAC2-fluoro-N-[(3S,4R)-4-hydroxynon-1-en-3-yl]acetamide
SMILESC=C[C@H](NC(=O)CF)[C@H](O)CCCCC
InChIInChI=1S/C11H20FNO2/c1-3-5-6-7-10(14)9(4-2)13-11(15)8-12/h4,9-10,14H,2-3,5-8H2,1H3,(H,13,15)/t9-,10+/m0/s1
InChIKeyBIMCEUGBCNCFDV-VHSXEESVSA-N
MW217.28 g/mol
LogP1.57
Rot. Bonds8

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

2-fluoro-N-[(3S,4R)-4-hydroxynon-1-en-3-yl]acetamide (PubChem CID 166444522) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-fluoro-N-[(3S,4R)-4-hydroxynon-1-en-3-yl]acetamide.

Molecular Properties

Compound Name2-fluoro-N-[(3S,4R)-4-hydroxynon-1-en-3-yl]acetamide
PubChem CID166444522
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name2-fluoro-N-[(3S,4R)-4-hydroxynon-1-en-3-yl]acetamide
SMILESC=C[C@H](NC(=O)CF)[C@H](O)CCCCC
InChIInChI=1S/C11H20FNO2/c1-3-5-6-7-10(14)9(4-2)13-11(15)8-12/h4,9-10,14H,2-3,5-8H2,1H3,(H,13,15)/t9-,10+/m0/s1
InChIKeyBIMCEUGBCNCFDV-VHSXEESVSA-N
XLogP1.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
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-[(3S,4R)-4-hydroxynon-1-en-3-yl]acetamide?
The IUPAC name of 2-fluoro-N-[(3S,4R)-4-hydroxynon-1-en-3-yl]acetamide (CID 166444522) is 2-fluoro-N-[(3S,4R)-4-hydroxynon-1-en-3-yl]acetamide.
What is the SMILES notation for 2-fluoro-N-[(3S,4R)-4-hydroxynon-1-en-3-yl]acetamide?
The canonical SMILES for 2-fluoro-N-[(3S,4R)-4-hydroxynon-1-en-3-yl]acetamide is C=C[C@H](NC(=O)CF)[C@H](O)CCCCC.
What is the InChIKey of 2-fluoro-N-[(3S,4R)-4-hydroxynon-1-en-3-yl]acetamide?
The InChIKey is BIMCEUGBCNCFDV-VHSXEESVSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-3-5-6-7-10(14)9(4-2)13-11(15)8-12/h4,9-10,14H,2-3,5-8H2,1H3,(H,13,15)/t9-,10+/m0/s1.
What are the key properties of 2-fluoro-N-[(3S,4R)-4-hydroxynon-1-en-3-yl]acetamide?
2-fluoro-N-[(3S,4R)-4-hydroxynon-1-en-3-yl]acetamide has a molecular weight of 217.28 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3S,4R)-4-hydroxynon-1-en-3-yl]acetamide is sourced from PubChem (CID 166444522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).