4,4,4-trifluoro-N-methoxy-N,2,2-trimethylbutanamide

C8H14F3NO2 — CID 86613113

IUPAC4,4,4-trifluoro-N-methoxy-N,2,2-trimethylbutanamide
SMILESCON(C)C(=O)C(C)(C)CC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-7(2,5-8(9,10)11)6(13)12(3)14-4/h5H2,1-4H3
InChIKeyXRXKKLNYGZXDGO-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.98
Rot. Bonds3

About 4,4,4-trifluoro-N-methoxy-N,2,2-trimethylbutanamide

4,4,4-trifluoro-N-methoxy-N,2,2-trimethylbutanamide (PubChem CID 86613113) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methoxy-N,2,2-trimethylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methoxy-N,2,2-trimethylbutanamide
PubChem CID86613113
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name4,4,4-trifluoro-N-methoxy-N,2,2-trimethylbutanamide
SMILESCON(C)C(=O)C(C)(C)CC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-7(2,5-8(9,10)11)6(13)12(3)14-4/h5H2,1-4H3
InChIKeyXRXKKLNYGZXDGO-UHFFFAOYSA-N
XLogP1.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-N-methyl-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 57785368
4,4,4-trifluoro-N-methoxy-N-methylbutanamide
CID 22507277
4,4,4-trifluoro-N-methoxy-N-methyl-2-(2,2,2-trifluoroethyl)butanamide
CID 57356913
N-methoxy-N-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide
CID 58114150
3,3,3-Trifluoro-N-methoxy-N,2,2-trimethylpropanamide
CID 86650577
N,N,2-trimethyl-2-(trifluoromethyl)butanamide
CID 87944269
1-(fluoromethyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 89165040
2,2,4,4,4-pentafluoro-N-methoxy-N-methylbutanamide
CID 90125054
4,4-difluoro-N-methoxy-N,3,3-trimethylbutanamide
CID 129050651
4,4,4-trifluoro-N-methoxy-N-methyl-3-(trifluoromethyl)butanamide
CID 129050679
4,4,4-trifluoro-N-methoxy-N,3-dimethylbutanamide
CID 129050719
4,4,4-trifluoro-N-methoxy-N,3,3-trimethylbutanamide
CID 129061140

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methoxy-N,2,2-trimethylbutanamide?
The IUPAC name of 4,4,4-trifluoro-N-methoxy-N,2,2-trimethylbutanamide (CID 86613113) is 4,4,4-trifluoro-N-methoxy-N,2,2-trimethylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-methoxy-N,2,2-trimethylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-N-methoxy-N,2,2-trimethylbutanamide is CON(C)C(=O)C(C)(C)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-methoxy-N,2,2-trimethylbutanamide?
The InChIKey is XRXKKLNYGZXDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-7(2,5-8(9,10)11)6(13)12(3)14-4/h5H2,1-4H3.
What are the key properties of 4,4,4-trifluoro-N-methoxy-N,2,2-trimethylbutanamide?
4,4,4-trifluoro-N-methoxy-N,2,2-trimethylbutanamide has a molecular weight of 213.20 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-methoxy-N,2,2-trimethylbutanamide is sourced from PubChem (CID 86613113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).