N-(4-amino-1,1-difluoro-2-methylbutan-2-yl)propanamide

C8H16F2N2O — CID 165448658

IUPACN-(4-amino-1,1-difluoro-2-methylbutan-2-yl)propanamide
SMILESCCC(=O)NC(C)(CCN)C(F)F
InChIInChI=1S/C8H16F2N2O/c1-3-6(13)12-8(2,4-5-11)7(9)10/h7H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyORNOKYLOKRIBMT-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.89
Rot. Bonds5

About N-(4-amino-1,1-difluoro-2-methylbutan-2-yl)propanamide

N-(4-amino-1,1-difluoro-2-methylbutan-2-yl)propanamide (PubChem CID 165448658) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is N-(4-amino-1,1-difluoro-2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-amino-1,1-difluoro-2-methylbutan-2-yl)propanamide
PubChem CID165448658
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC NameN-(4-amino-1,1-difluoro-2-methylbutan-2-yl)propanamide
SMILESCCC(=O)NC(C)(CCN)C(F)F
InChIInChI=1S/C8H16F2N2O/c1-3-6(13)12-8(2,4-5-11)7(9)10/h7H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyORNOKYLOKRIBMT-UHFFFAOYSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,1-difluoro-2-methylbutan-2-yl)propanamide?
The IUPAC name of N-(4-amino-1,1-difluoro-2-methylbutan-2-yl)propanamide (CID 165448658) is N-(4-amino-1,1-difluoro-2-methylbutan-2-yl)propanamide.
What is the SMILES notation for N-(4-amino-1,1-difluoro-2-methylbutan-2-yl)propanamide?
The canonical SMILES for N-(4-amino-1,1-difluoro-2-methylbutan-2-yl)propanamide is CCC(=O)NC(C)(CCN)C(F)F.
What is the InChIKey of N-(4-amino-1,1-difluoro-2-methylbutan-2-yl)propanamide?
The InChIKey is ORNOKYLOKRIBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c1-3-6(13)12-8(2,4-5-11)7(9)10/h7H,3-5,11H2,1-2H3,(H,12,13).
What are the key properties of N-(4-amino-1,1-difluoro-2-methylbutan-2-yl)propanamide?
N-(4-amino-1,1-difluoro-2-methylbutan-2-yl)propanamide has a molecular weight of 194.22 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,1-difluoro-2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 165448658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).