N-(2,2-difluoroethyl)-3-methoxy-2-methylpropanamide

C7H13F2NO2 — CID 144653432

IUPACN-(2,2-difluoroethyl)-3-methoxy-2-methylpropanamide
SMILESCOCC(C)C(=O)NCC(F)F
InChIInChI=1S/C7H13F2NO2/c1-5(4-12-2)7(11)10-3-6(8)9/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyZMGCKVBVCAPTNV-UHFFFAOYSA-N
MW181.18 g/mol
LogP0.65
Rot. Bonds5

About N-(2,2-difluoroethyl)-3-methoxy-2-methylpropanamide

N-(2,2-difluoroethyl)-3-methoxy-2-methylpropanamide (PubChem CID 144653432) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-methoxy-2-methylpropanamide
PubChem CID144653432
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC NameN-(2,2-difluoroethyl)-3-methoxy-2-methylpropanamide
SMILESCOCC(C)C(=O)NCC(F)F
InChIInChI=1S/C7H13F2NO2/c1-5(4-12-2)7(11)10-3-6(8)9/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyZMGCKVBVCAPTNV-UHFFFAOYSA-N
XLogP0.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-methoxy-2-methylpropanamide?
The IUPAC name of N-(2,2-difluoroethyl)-3-methoxy-2-methylpropanamide (CID 144653432) is N-(2,2-difluoroethyl)-3-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-methoxy-2-methylpropanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-3-methoxy-2-methylpropanamide is COCC(C)C(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-3-methoxy-2-methylpropanamide?
The InChIKey is ZMGCKVBVCAPTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2/c1-5(4-12-2)7(11)10-3-6(8)9/h5-6H,3-4H2,1-2H3,(H,10,11).
What are the key properties of N-(2,2-difluoroethyl)-3-methoxy-2-methylpropanamide?
N-(2,2-difluoroethyl)-3-methoxy-2-methylpropanamide has a molecular weight of 181.18 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-methoxy-2-methylpropanamide is sourced from PubChem (CID 144653432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).