2,2,2-trifluoro-N-[3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropyl]acetamide

C12H22F3NO3 — CID 89143805

IUPAC2,2,2-trifluoro-N-[3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropyl]acetamide
SMILESCC(C)(CO)COCC(C)(C)CNC(=O)C(F)(F)F
InChIInChI=1S/C12H22F3NO3/c1-10(2,5-16-9(18)12(13,14)15)7-19-8-11(3,4)6-17/h17H,5-8H2,1-4H3,(H,16,18)
InChIKeyKEWDQSJZUAHHEX-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.73
Rot. Bonds7

About 2,2,2-trifluoro-N-[3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropyl]acetamide

2,2,2-trifluoro-N-[3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropyl]acetamide (PubChem CID 89143805) has the molecular formula C12H22F3NO3 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropyl]acetamide
PubChem CID89143805
Molecular FormulaC12H22F3NO3
Molecular Weight285.31 g/mol
Exact Mass285.16
IUPAC Name2,2,2-trifluoro-N-[3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropyl]acetamide
SMILESCC(C)(CO)COCC(C)(C)CNC(=O)C(F)(F)F
InChIInChI=1S/C12H22F3NO3/c1-10(2,5-16-9(18)12(13,14)15)7-19-8-11(3,4)6-17/h17H,5-8H2,1-4H3,(H,16,18)
InChIKeyKEWDQSJZUAHHEX-UHFFFAOYSA-N
XLogP1.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropyl]acetamide (CID 89143805) is 2,2,2-trifluoro-N-[3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropyl]acetamide is CC(C)(CO)COCC(C)(C)CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropyl]acetamide?
The InChIKey is KEWDQSJZUAHHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO3/c1-10(2,5-16-9(18)12(13,14)15)7-19-8-11(3,4)6-17/h17H,5-8H2,1-4H3,(H,16,18).
What are the key properties of 2,2,2-trifluoro-N-[3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropyl]acetamide?
2,2,2-trifluoro-N-[3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropyl]acetamide has a molecular weight of 285.31 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropyl]acetamide is sourced from PubChem (CID 89143805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).