(E)-2-fluoro-N-formyl-N-hexylbut-2-enamide

C11H18FNO2 — CID 167200914

IUPAC(E)-2-fluoro-N-formyl-N-hexylbut-2-enamide
SMILESC/C=C(/F)C(=O)N(C=O)CCCCCC
InChIInChI=1S/C11H18FNO2/c1-3-5-6-7-8-13(9-14)11(15)10(12)4-2/h4,9H,3,5-8H2,1-2H3/b10-4+
InChIKeyQAYWEBBWXBHRHB-ONNFQVAWSA-N
MW215.27 g/mol
LogP2.42
Rot. Bonds7

About (E)-2-fluoro-N-formyl-N-hexylbut-2-enamide

(E)-2-fluoro-N-formyl-N-hexylbut-2-enamide (PubChem CID 167200914) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is (E)-2-fluoro-N-formyl-N-hexylbut-2-enamide.

Molecular Properties

Compound Name(E)-2-fluoro-N-formyl-N-hexylbut-2-enamide
PubChem CID167200914
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC Name(E)-2-fluoro-N-formyl-N-hexylbut-2-enamide
SMILESC/C=C(/F)C(=O)N(C=O)CCCCCC
InChIInChI=1S/C11H18FNO2/c1-3-5-6-7-8-13(9-14)11(15)10(12)4-2/h4,9H,3,5-8H2,1-2H3/b10-4+
InChIKeyQAYWEBBWXBHRHB-ONNFQVAWSA-N
XLogP2.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-formyl-N-pentylbut-2-enamide
CID 89091731
N-decyl-N-dodecylformamide
CID 174803125
N-hexyl-N-octylformamide
CID 169189817
N,N,N',N'-tetrahexyloxamide
CID 6424911
N,N-dimethylformamide;dodecane
CID 174900991
N-butyl-N-octadecylformamide
CID 54030417
N-methyl-N-tetradecylformamide
CID 10422507
heptadecane;hypofluorous acid
CID 158426244
N-formyl-2-methyl-N-pentylbenzamide
CID 142115251
N-ethyl-N-hexylformamide
CID 54565973
N-ethenyl-N-icosylhenicosanamide
CID 20565296
N-methyl-N-pentylformamide
CID 22754748

Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-N-formyl-N-hexylbut-2-enamide?
The IUPAC name of (E)-2-fluoro-N-formyl-N-hexylbut-2-enamide (CID 167200914) is (E)-2-fluoro-N-formyl-N-hexylbut-2-enamide.
What is the SMILES notation for (E)-2-fluoro-N-formyl-N-hexylbut-2-enamide?
The canonical SMILES for (E)-2-fluoro-N-formyl-N-hexylbut-2-enamide is C/C=C(/F)C(=O)N(C=O)CCCCCC.
What is the InChIKey of (E)-2-fluoro-N-formyl-N-hexylbut-2-enamide?
The InChIKey is QAYWEBBWXBHRHB-ONNFQVAWSA-N. The full InChI is InChI=1S/C11H18FNO2/c1-3-5-6-7-8-13(9-14)11(15)10(12)4-2/h4,9H,3,5-8H2,1-2H3/b10-4+.
What are the key properties of (E)-2-fluoro-N-formyl-N-hexylbut-2-enamide?
(E)-2-fluoro-N-formyl-N-hexylbut-2-enamide has a molecular weight of 215.27 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-N-formyl-N-hexylbut-2-enamide is sourced from PubChem (CID 167200914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).