2-amino-3,3,3-trifluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

C7H10F6N2O2 — CID 114093542

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESCC(N)(C(=O)NCC(O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6N2O2/c1-5(14,7(11,12)13)4(17)15-2-3(16)6(8,9)10/h3,16H,2,14H2,1H3,(H,15,17)
InChIKeyKSAFEUAPYSTKOT-UHFFFAOYSA-N
MW268.16 g/mol
LogP0.31
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (PubChem CID 114093542) has the molecular formula C7H10F6N2O2 and a molecular weight of 268.16 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
PubChem CID114093542
Molecular FormulaC7H10F6N2O2
Molecular Weight268.16 g/mol
Exact Mass268.06
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESCC(N)(C(=O)NCC(O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6N2O2/c1-5(14,7(11,12)13)4(17)15-2-3(16)6(8,9)10/h3,16H,2,14H2,1H3,(H,15,17)
InChIKeyKSAFEUAPYSTKOT-UHFFFAOYSA-N
XLogP0.31
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]butanoic acid
CID 79811364
2,2-dimethyl-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]propanamide
CID 103723244
2-methyl-2-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103730656
2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide
CID 79789702
2-amino-3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
CID 106116606
2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103881683
(E)-N-(3,3,3-trifluoro-2-hydroxypropyl)but-2-enamide
CID 103755858
2-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726360
2-amino-3,3,3-trifluoro-2-methyl-N-pentylpropanamide
CID 79796676
2-amino-3,3,3-trifluoro-2-methyl-N-pentan-2-ylpropanamide
CID 79790165
1,1,1-trifluoro-3-(hydroxyamino)propan-2-ol
CID 18071378
3-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103726141

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (CID 114093542) is 2-amino-3,3,3-trifluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is CC(N)(C(=O)NCC(O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The InChIKey is KSAFEUAPYSTKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6N2O2/c1-5(14,7(11,12)13)4(17)15-2-3(16)6(8,9)10/h3,16H,2,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide has a molecular weight of 268.16 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is sourced from PubChem (CID 114093542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).