2-(1,1-difluoroethyl)-2-fluoro-N,N'-bis(prop-2-enyl)butanediamide

C12H17F3N2O2 — CID 158328063

IUPAC2-(1,1-difluoroethyl)-2-fluoro-N,N'-bis(prop-2-enyl)butanediamide
SMILESC=CCNC(=O)CC(F)(C(=O)NCC=C)C(C)(F)F
InChIInChI=1S/C12H17F3N2O2/c1-4-6-16-9(18)8-12(15,11(3,13)14)10(19)17-7-5-2/h4-5H,1-2,6-8H2,3H3,(H,16,18)(H,17,19)
InChIKeyUZPHWAKMHAHITD-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.34
Rot. Bonds8

About 2-(1,1-difluoroethyl)-2-fluoro-N,N'-bis(prop-2-enyl)butanediamide

2-(1,1-difluoroethyl)-2-fluoro-N,N'-bis(prop-2-enyl)butanediamide (PubChem CID 158328063) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-2-fluoro-N,N'-bis(prop-2-enyl)butanediamide.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-2-fluoro-N,N'-bis(prop-2-enyl)butanediamide
PubChem CID158328063
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC Name2-(1,1-difluoroethyl)-2-fluoro-N,N'-bis(prop-2-enyl)butanediamide
SMILESC=CCNC(=O)CC(F)(C(=O)NCC=C)C(C)(F)F
InChIInChI=1S/C12H17F3N2O2/c1-4-6-16-9(18)8-12(15,11(3,13)14)10(19)17-7-5-2/h4-5H,1-2,6-8H2,3H3,(H,16,18)(H,17,19)
InChIKeyUZPHWAKMHAHITD-UHFFFAOYSA-N
XLogP1.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.34
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-(1,1-difluoroethyl)-2-fluoro-N,N'-bis(prop-2-enyl)butanediamide?
The IUPAC name of 2-(1,1-difluoroethyl)-2-fluoro-N,N'-bis(prop-2-enyl)butanediamide (CID 158328063) is 2-(1,1-difluoroethyl)-2-fluoro-N,N'-bis(prop-2-enyl)butanediamide.
What is the SMILES notation for 2-(1,1-difluoroethyl)-2-fluoro-N,N'-bis(prop-2-enyl)butanediamide?
The canonical SMILES for 2-(1,1-difluoroethyl)-2-fluoro-N,N'-bis(prop-2-enyl)butanediamide is C=CCNC(=O)CC(F)(C(=O)NCC=C)C(C)(F)F.
What is the InChIKey of 2-(1,1-difluoroethyl)-2-fluoro-N,N'-bis(prop-2-enyl)butanediamide?
The InChIKey is UZPHWAKMHAHITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c1-4-6-16-9(18)8-12(15,11(3,13)14)10(19)17-7-5-2/h4-5H,1-2,6-8H2,3H3,(H,16,18)(H,17,19).
What are the key properties of 2-(1,1-difluoroethyl)-2-fluoro-N,N'-bis(prop-2-enyl)butanediamide?
2-(1,1-difluoroethyl)-2-fluoro-N,N'-bis(prop-2-enyl)butanediamide has a molecular weight of 278.27 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-2-fluoro-N,N'-bis(prop-2-enyl)butanediamide is sourced from PubChem (CID 158328063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).