N-(2-cyanopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide

C9H14F2N2O2 — CID 103208212

IUPACN-(2-cyanopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide
SMILESCC(C)(C#N)NC(=O)CCOCC(F)F
InChIInChI=1S/C9H14F2N2O2/c1-9(2,6-12)13-8(14)3-4-15-5-7(10)11/h7H,3-5H2,1-2H3,(H,13,14)
InChIKeyFYGKGGDKTTZEPN-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.08
Rot. Bonds6

About N-(2-cyanopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide

N-(2-cyanopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103208212) has the molecular formula C9H14F2N2O2 and a molecular weight of 220.22 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID103208212
Molecular FormulaC9H14F2N2O2
Molecular Weight220.22 g/mol
Exact Mass220.10
IUPAC NameN-(2-cyanopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide
SMILESCC(C)(C#N)NC(=O)CCOCC(F)F
InChIInChI=1S/C9H14F2N2O2/c1-9(2,6-12)13-8(14)3-4-15-5-7(10)11/h7H,3-5H2,1-2H3,(H,13,14)
InChIKeyFYGKGGDKTTZEPN-UHFFFAOYSA-N
XLogP1.08
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide (CID 103208212) is N-(2-cyanopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide is CC(C)(C#N)NC(=O)CCOCC(F)F.
What is the InChIKey of N-(2-cyanopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is FYGKGGDKTTZEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O2/c1-9(2,6-12)13-8(14)3-4-15-5-7(10)11/h7H,3-5H2,1-2H3,(H,13,14).
What are the key properties of N-(2-cyanopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide?
N-(2-cyanopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 220.22 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103208212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).