2-(2,2-difluoroethylamino)-2-methylpropanal

C6H11F2NO — CID 171074901

IUPAC2-(2,2-difluoroethylamino)-2-methylpropanal
SMILESCC(C)(C=O)NCC(F)F
InChIInChI=1S/C6H11F2NO/c1-6(2,4-10)9-3-5(7)8/h4-5,9H,3H2,1-2H3
InChIKeyLIZPZVXCNASMOW-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.82
Rot. Bonds4

About 2-(2,2-difluoroethylamino)-2-methylpropanal

2-(2,2-difluoroethylamino)-2-methylpropanal (PubChem CID 171074901) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-(2,2-difluoroethylamino)-2-methylpropanal.

Molecular Properties

Compound Name2-(2,2-difluoroethylamino)-2-methylpropanal
PubChem CID171074901
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name2-(2,2-difluoroethylamino)-2-methylpropanal
SMILESCC(C)(C=O)NCC(F)F
InChIInChI=1S/C6H11F2NO/c1-6(2,4-10)9-3-5(7)8/h4-5,9H,3H2,1-2H3
InChIKeyLIZPZVXCNASMOW-UHFFFAOYSA-N
XLogP0.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylamino)-2-methylpropanal?
The IUPAC name of 2-(2,2-difluoroethylamino)-2-methylpropanal (CID 171074901) is 2-(2,2-difluoroethylamino)-2-methylpropanal.
What is the SMILES notation for 2-(2,2-difluoroethylamino)-2-methylpropanal?
The canonical SMILES for 2-(2,2-difluoroethylamino)-2-methylpropanal is CC(C)(C=O)NCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethylamino)-2-methylpropanal?
The InChIKey is LIZPZVXCNASMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-6(2,4-10)9-3-5(7)8/h4-5,9H,3H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethylamino)-2-methylpropanal?
2-(2,2-difluoroethylamino)-2-methylpropanal has a molecular weight of 151.16 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylamino)-2-methylpropanal is sourced from PubChem (CID 171074901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).