2,2-bis(2-fluoroethyl)propanediamide

C7H12F2N2O2 — CID 141227646

IUPAC2,2-bis(2-fluoroethyl)propanediamide
SMILESNC(=O)C(CCF)(CCF)C(N)=O
InChIInChI=1S/C7H12F2N2O2/c8-3-1-7(2-4-9,5(10)12)6(11)13/h1-4H2,(H2,10,12)(H2,11,13)
InChIKeyXKPOZLSVVIXMIN-UHFFFAOYSA-N
MW194.18 g/mol
LogP-0.34
Rot. Bonds6

About 2,2-bis(2-fluoroethyl)propanediamide

2,2-bis(2-fluoroethyl)propanediamide (PubChem CID 141227646) has the molecular formula C7H12F2N2O2 and a molecular weight of 194.18 g/mol. Its IUPAC name is 2,2-bis(2-fluoroethyl)propanediamide.

Molecular Properties

Compound Name2,2-bis(2-fluoroethyl)propanediamide
PubChem CID141227646
Molecular FormulaC7H12F2N2O2
Molecular Weight194.18 g/mol
Exact Mass194.09
IUPAC Name2,2-bis(2-fluoroethyl)propanediamide
SMILESNC(=O)C(CCF)(CCF)C(N)=O
InChIInChI=1S/C7H12F2N2O2/c8-3-1-7(2-4-9,5(10)12)6(11)13/h1-4H2,(H2,10,12)(H2,11,13)
InChIKeyXKPOZLSVVIXMIN-UHFFFAOYSA-N
XLogP-0.34
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-fluoroethyl)propanediamide?
The IUPAC name of 2,2-bis(2-fluoroethyl)propanediamide (CID 141227646) is 2,2-bis(2-fluoroethyl)propanediamide.
What is the SMILES notation for 2,2-bis(2-fluoroethyl)propanediamide?
The canonical SMILES for 2,2-bis(2-fluoroethyl)propanediamide is NC(=O)C(CCF)(CCF)C(N)=O.
What is the InChIKey of 2,2-bis(2-fluoroethyl)propanediamide?
The InChIKey is XKPOZLSVVIXMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O2/c8-3-1-7(2-4-9,5(10)12)6(11)13/h1-4H2,(H2,10,12)(H2,11,13).
What are the key properties of 2,2-bis(2-fluoroethyl)propanediamide?
2,2-bis(2-fluoroethyl)propanediamide has a molecular weight of 194.18 g/mol, XLogP of -0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-fluoroethyl)propanediamide is sourced from PubChem (CID 141227646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).