2-amino-2-methyl-N-(3,3,3-trifluoropropyl)propanamide

C7H13F3N2O — CID 63226651

IUPAC2-amino-2-methyl-N-(3,3,3-trifluoropropyl)propanamide
SMILESCC(C)(N)C(=O)NCCC(F)(F)F
InChIInChI=1S/C7H13F3N2O/c1-6(2,11)5(13)12-4-3-7(8,9)10/h3-4,11H2,1-2H3,(H,12,13)
InChIKeyNDSFKTMNFXYREY-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.79
Rot. Bonds3

About 2-amino-2-methyl-N-(3,3,3-trifluoropropyl)propanamide

2-amino-2-methyl-N-(3,3,3-trifluoropropyl)propanamide (PubChem CID 63226651) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-amino-2-methyl-N-(3,3,3-trifluoropropyl)propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-(3,3,3-trifluoropropyl)propanamide
PubChem CID63226651
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC Name2-amino-2-methyl-N-(3,3,3-trifluoropropyl)propanamide
SMILESCC(C)(N)C(=O)NCCC(F)(F)F
InChIInChI=1S/C7H13F3N2O/c1-6(2,11)5(13)12-4-3-7(8,9)10/h3-4,11H2,1-2H3,(H,12,13)
InChIKeyNDSFKTMNFXYREY-UHFFFAOYSA-N
XLogP0.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-fluoroethyl)-2-methylpropanamide
CID 130504084
2-amino-3,3-dimethyl-N-(3,3,3-trifluoropropyl)butanamide
CID 76988357
2,2,3,3-tetrafluoro-N-(3,3,3-trifluoropropyl)propanamide
CID 103734095
2,2-dimethyl-N-[2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]propanamide
CID 109471271
1-amino-3-(3,3,3-trifluoropropyl)urea
CID 63227916
6-amino-4,4-dimethyl-N-(3,3,3-trifluoropropyl)hexanamide
CID 65291671
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
CID 83111827
3-[(2-amino-2-methylpropanoyl)amino]propane-1-sulfonic acid
CID 59745216
2-bromo-N-(3,3,3-trifluoropropyl)propanamide
CID 107905222
2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide
CID 79789702
(2R)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide
CID 104903471
1,1-diethyl-3-(3,3,3-trifluoropropyl)urea
CID 115650872

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-(3,3,3-trifluoropropyl)propanamide?
The IUPAC name of 2-amino-2-methyl-N-(3,3,3-trifluoropropyl)propanamide (CID 63226651) is 2-amino-2-methyl-N-(3,3,3-trifluoropropyl)propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-(3,3,3-trifluoropropyl)propanamide?
The canonical SMILES for 2-amino-2-methyl-N-(3,3,3-trifluoropropyl)propanamide is CC(C)(N)C(=O)NCCC(F)(F)F.
What is the InChIKey of 2-amino-2-methyl-N-(3,3,3-trifluoropropyl)propanamide?
The InChIKey is NDSFKTMNFXYREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c1-6(2,11)5(13)12-4-3-7(8,9)10/h3-4,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-2-methyl-N-(3,3,3-trifluoropropyl)propanamide?
2-amino-2-methyl-N-(3,3,3-trifluoropropyl)propanamide has a molecular weight of 198.19 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-(3,3,3-trifluoropropyl)propanamide is sourced from PubChem (CID 63226651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).