(E,2S)-N-fluoro-2-methylnon-4-enamide

C10H18FNO — CID 153438473

IUPAC(E,2S)-N-fluoro-2-methylnon-4-enamide
SMILESCCCC/C=C/C[C@H](C)C(=O)NF
InChIInChI=1S/C10H18FNO/c1-3-4-5-6-7-8-9(2)10(13)12-11/h6-7,9H,3-5,8H2,1-2H3,(H,12,13)/b7-6+/t9-/m0/s1
InChIKeyKGJZASSFUYSTSO-UCUJLANTSA-N
MW187.26 g/mol
LogP2.76
Rot. Bonds6

About (E,2S)-N-fluoro-2-methylnon-4-enamide

(E,2S)-N-fluoro-2-methylnon-4-enamide (PubChem CID 153438473) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is (E,2S)-N-fluoro-2-methylnon-4-enamide.

Molecular Properties

Compound Name(E,2S)-N-fluoro-2-methylnon-4-enamide
PubChem CID153438473
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(E,2S)-N-fluoro-2-methylnon-4-enamide
SMILESCCCC/C=C/C[C@H](C)C(=O)NF
InChIInChI=1S/C10H18FNO/c1-3-4-5-6-7-8-9(2)10(13)12-11/h6-7,9H,3-5,8H2,1-2H3,(H,12,13)/b7-6+/t9-/m0/s1
InChIKeyKGJZASSFUYSTSO-UCUJLANTSA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2S)-N-fluoro-2-methylnon-4-enamide?
The IUPAC name of (E,2S)-N-fluoro-2-methylnon-4-enamide (CID 153438473) is (E,2S)-N-fluoro-2-methylnon-4-enamide.
What is the SMILES notation for (E,2S)-N-fluoro-2-methylnon-4-enamide?
The canonical SMILES for (E,2S)-N-fluoro-2-methylnon-4-enamide is CCCC/C=C/C[C@H](C)C(=O)NF.
What is the InChIKey of (E,2S)-N-fluoro-2-methylnon-4-enamide?
The InChIKey is KGJZASSFUYSTSO-UCUJLANTSA-N. The full InChI is InChI=1S/C10H18FNO/c1-3-4-5-6-7-8-9(2)10(13)12-11/h6-7,9H,3-5,8H2,1-2H3,(H,12,13)/b7-6+/t9-/m0/s1.
What are the key properties of (E,2S)-N-fluoro-2-methylnon-4-enamide?
(E,2S)-N-fluoro-2-methylnon-4-enamide has a molecular weight of 187.26 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-N-fluoro-2-methylnon-4-enamide is sourced from PubChem (CID 153438473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).