2-fluoro-2-methyl-N,N'-bis(prop-2-enyl)butanediamide

C11H17FN2O2 — CID 158114198

IUPAC2-fluoro-2-methyl-N,N'-bis(prop-2-enyl)butanediamide
SMILESC=CCNC(=O)CC(C)(F)C(=O)NCC=C
InChIInChI=1S/C11H17FN2O2/c1-4-6-13-9(15)8-11(3,12)10(16)14-7-5-2/h4-5H,1-2,6-8H2,3H3,(H,13,15)(H,14,16)
InChIKeyWBYLSTCJMLHDIT-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.71
Rot. Bonds7

About 2-fluoro-2-methyl-N,N'-bis(prop-2-enyl)butanediamide

2-fluoro-2-methyl-N,N'-bis(prop-2-enyl)butanediamide (PubChem CID 158114198) has the molecular formula C11H17FN2O2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N,N'-bis(prop-2-enyl)butanediamide.

Molecular Properties

Compound Name2-fluoro-2-methyl-N,N'-bis(prop-2-enyl)butanediamide
PubChem CID158114198
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Name2-fluoro-2-methyl-N,N'-bis(prop-2-enyl)butanediamide
SMILESC=CCNC(=O)CC(C)(F)C(=O)NCC=C
InChIInChI=1S/C11H17FN2O2/c1-4-6-13-9(15)8-11(3,12)10(16)14-7-5-2/h4-5H,1-2,6-8H2,3H3,(H,13,15)(H,14,16)
InChIKeyWBYLSTCJMLHDIT-UHFFFAOYSA-N
XLogP0.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-N,N'-bis(prop-2-enyl)butanediamide?
The IUPAC name of 2-fluoro-2-methyl-N,N'-bis(prop-2-enyl)butanediamide (CID 158114198) is 2-fluoro-2-methyl-N,N'-bis(prop-2-enyl)butanediamide.
What is the SMILES notation for 2-fluoro-2-methyl-N,N'-bis(prop-2-enyl)butanediamide?
The canonical SMILES for 2-fluoro-2-methyl-N,N'-bis(prop-2-enyl)butanediamide is C=CCNC(=O)CC(C)(F)C(=O)NCC=C.
What is the InChIKey of 2-fluoro-2-methyl-N,N'-bis(prop-2-enyl)butanediamide?
The InChIKey is WBYLSTCJMLHDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2/c1-4-6-13-9(15)8-11(3,12)10(16)14-7-5-2/h4-5H,1-2,6-8H2,3H3,(H,13,15)(H,14,16).
What are the key properties of 2-fluoro-2-methyl-N,N'-bis(prop-2-enyl)butanediamide?
2-fluoro-2-methyl-N,N'-bis(prop-2-enyl)butanediamide has a molecular weight of 228.27 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-N,N'-bis(prop-2-enyl)butanediamide is sourced from PubChem (CID 158114198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).