3,3,3-trifluoro-2-hydroxy-N-propan-2-ylpropanamide

C6H10F3NO2 — CID 59706235

IUPAC3,3,3-trifluoro-2-hydroxy-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-3(2)10-5(12)4(11)6(7,8)9/h3-4,11H,1-2H3,(H,10,12)
InChIKeyXOOUNNZHUKHCOE-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.43
Rot. Bonds2

About 3,3,3-trifluoro-2-hydroxy-N-propan-2-ylpropanamide

3,3,3-trifluoro-2-hydroxy-N-propan-2-ylpropanamide (PubChem CID 59706235) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-N-propan-2-ylpropanamide
PubChem CID59706235
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name3,3,3-trifluoro-2-hydroxy-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-3(2)10-5(12)4(11)6(7,8)9/h3-4,11H,1-2H3,(H,10,12)
InChIKeyXOOUNNZHUKHCOE-UHFFFAOYSA-N
XLogP0.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-N-propan-2-ylpropanamide?
The IUPAC name of 3,3,3-trifluoro-2-hydroxy-N-propan-2-ylpropanamide (CID 59706235) is 3,3,3-trifluoro-2-hydroxy-N-propan-2-ylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-hydroxy-N-propan-2-ylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-2-hydroxy-N-propan-2-ylpropanamide is CC(C)NC(=O)C(O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-N-propan-2-ylpropanamide?
The InChIKey is XOOUNNZHUKHCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-3(2)10-5(12)4(11)6(7,8)9/h3-4,11H,1-2H3,(H,10,12).
What are the key properties of 3,3,3-trifluoro-2-hydroxy-N-propan-2-ylpropanamide?
3,3,3-trifluoro-2-hydroxy-N-propan-2-ylpropanamide has a molecular weight of 185.14 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-hydroxy-N-propan-2-ylpropanamide is sourced from PubChem (CID 59706235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).