N-(3-amino-2,2-difluoropropyl)-2,2-dimethylpropanamide

C8H16F2N2O — CID 114383402

IUPACN-(3-amino-2,2-difluoropropyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(F)(F)CN
InChIInChI=1S/C8H16F2N2O/c1-7(2,3)6(13)12-5-8(9,10)4-11/h4-5,11H2,1-3H3,(H,12,13)
InChIKeyIAPBJORLIIHWRF-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.74
Rot. Bonds3

About N-(3-amino-2,2-difluoropropyl)-2,2-dimethylpropanamide

N-(3-amino-2,2-difluoropropyl)-2,2-dimethylpropanamide (PubChem CID 114383402) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-2,2-dimethylpropanamide
PubChem CID114383402
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC NameN-(3-amino-2,2-difluoropropyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(F)(F)CN
InChIInChI=1S/C8H16F2N2O/c1-7(2,3)6(13)12-5-8(9,10)4-11/h4-5,11H2,1-3H3,(H,12,13)
InChIKeyIAPBJORLIIHWRF-UHFFFAOYSA-N
XLogP0.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-difluoropropyl)-2-methyl-2-methylsulfonylpropanamide
CID 114383819
(3-amino-2,2-difluoropropyl)carbamic acid
CID 121434560
N-(aminomethyl)-2,2-dimethylpropanamide
CID 134421146
N-(3-amino-2,2-difluoropropyl)-3,4,4-trimethylpentanamide
CID 114383560
N-(5-amino-2,2-dimethylpentyl)-2,2-dimethylpropanamide
CID 106140502
N-(3-amino-2,2-difluoropropyl)dodecanamide
CID 114383633
2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide
CID 108537712
N-(2-aminoethyl)-2,2-dimethylpropanamide;hydrochloride
CID 47002886
2-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 114290297
1-(3-amino-2,2-difluoropropyl)-3-cyclopropylurea
CID 114383861
7-amino-N-(3-amino-2,2-difluoropropyl)heptanamide
CID 122081032
N-(1-amino-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide
CID 63193771

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-2,2-dimethylpropanamide (CID 114383402) is N-(3-amino-2,2-difluoropropyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC(F)(F)CN.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-2,2-dimethylpropanamide?
The InChIKey is IAPBJORLIIHWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c1-7(2,3)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)-2,2-dimethylpropanamide?
N-(3-amino-2,2-difluoropropyl)-2,2-dimethylpropanamide has a molecular weight of 194.22 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 114383402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).