2,2,2-trifluoro-N-(3-hydroxy-2-methylpropyl)-N-methylacetamide

C7H12F3NO2 — CID 131177281

IUPAC2,2,2-trifluoro-N-(3-hydroxy-2-methylpropyl)-N-methylacetamide
SMILESCC(CO)CN(C)C(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-5(4-12)3-11(2)6(13)7(8,9)10/h5,12H,3-4H2,1-2H3
InChIKeyJJMRVYPINNEXQE-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.64
Rot. Bonds3

About 2,2,2-trifluoro-N-(3-hydroxy-2-methylpropyl)-N-methylacetamide

2,2,2-trifluoro-N-(3-hydroxy-2-methylpropyl)-N-methylacetamide (PubChem CID 131177281) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-hydroxy-2-methylpropyl)-N-methylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-hydroxy-2-methylpropyl)-N-methylacetamide
PubChem CID131177281
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name2,2,2-trifluoro-N-(3-hydroxy-2-methylpropyl)-N-methylacetamide
SMILESCC(CO)CN(C)C(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-5(4-12)3-11(2)6(13)7(8,9)10/h5,12H,3-4H2,1-2H3
InChIKeyJJMRVYPINNEXQE-UHFFFAOYSA-N
XLogP0.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(3-hydroxy-2-methylpropyl)-N-methylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-hydroxy-2-methylpropyl)-N-methylacetamide (CID 131177281) is 2,2,2-trifluoro-N-(3-hydroxy-2-methylpropyl)-N-methylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-hydroxy-2-methylpropyl)-N-methylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-hydroxy-2-methylpropyl)-N-methylacetamide is CC(CO)CN(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(3-hydroxy-2-methylpropyl)-N-methylacetamide?
The InChIKey is JJMRVYPINNEXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-5(4-12)3-11(2)6(13)7(8,9)10/h5,12H,3-4H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-(3-hydroxy-2-methylpropyl)-N-methylacetamide?
2,2,2-trifluoro-N-(3-hydroxy-2-methylpropyl)-N-methylacetamide has a molecular weight of 199.17 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(3-hydroxy-2-methylpropyl)-N-methylacetamide is sourced from PubChem (CID 131177281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).