N-(3-amino-2,2-difluoropropyl)-2-methoxy-2-methylpropanamide

C8H16F2N2O2 — CID 103021674

IUPACN-(3-amino-2,2-difluoropropyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NCC(F)(F)CN
InChIInChI=1S/C8H16F2N2O2/c1-7(2,14-3)6(13)12-5-8(9,10)4-11/h4-5,11H2,1-3H3,(H,12,13)
InChIKeyIUKPNVSOHSIKIH-UHFFFAOYSA-N
MW210.22 g/mol
LogP0.12
Rot. Bonds5

About N-(3-amino-2,2-difluoropropyl)-2-methoxy-2-methylpropanamide

N-(3-amino-2,2-difluoropropyl)-2-methoxy-2-methylpropanamide (PubChem CID 103021674) has the molecular formula C8H16F2N2O2 and a molecular weight of 210.22 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-2-methoxy-2-methylpropanamide
PubChem CID103021674
Molecular FormulaC8H16F2N2O2
Molecular Weight210.22 g/mol
Exact Mass210.12
IUPAC NameN-(3-amino-2,2-difluoropropyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NCC(F)(F)CN
InChIInChI=1S/C8H16F2N2O2/c1-7(2,14-3)6(13)12-5-8(9,10)4-11/h4-5,11H2,1-3H3,(H,12,13)
InChIKeyIUKPNVSOHSIKIH-UHFFFAOYSA-N
XLogP0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-methoxy-2-methylpropanamide (CID 103021674) is N-(3-amino-2,2-difluoropropyl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)NCC(F)(F)CN.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-2-methoxy-2-methylpropanamide?
The InChIKey is IUKPNVSOHSIKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2/c1-7(2,14-3)6(13)12-5-8(9,10)4-11/h4-5,11H2,1-3H3,(H,12,13).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-2-methoxy-2-methylpropanamide?
N-(3-amino-2,2-difluoropropyl)-2-methoxy-2-methylpropanamide has a molecular weight of 210.22 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103021674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).