2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide

C8H14F3NO2 — CID 130568457

IUPAC2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide
SMILESCOCC(C)(C)CNC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-7(2,5-14-3)4-12-6(13)8(9,10)11/h4-5H2,1-3H3,(H,12,13)
InChIKeyCCHZUVOPLMSBSL-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.34
Rot. Bonds4

About 2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide

2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide (PubChem CID 130568457) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide
PubChem CID130568457
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide
SMILESCOCC(C)(C)CNC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-7(2,5-14-3)4-12-6(13)8(9,10)11/h4-5H2,1-3H3,(H,12,13)
InChIKeyCCHZUVOPLMSBSL-UHFFFAOYSA-N
XLogP1.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.34
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-methoxy-2,2-dimethylpropyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide (CID 130568457) is 2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide is COCC(C)(C)CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide?
The InChIKey is CCHZUVOPLMSBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-7(2,5-14-3)4-12-6(13)8(9,10)11/h4-5H2,1-3H3,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide?
2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide has a molecular weight of 213.20 g/mol, XLogP of 1.34, 4 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-methoxy-2,2-dimethylpropyl)acetamide is sourced from PubChem (CID 130568457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).