N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxane-3-carboxamide

C12H20F3NO2 — CID 71986117

IUPACN-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxane-3-carboxamide
SMILESCC(C)(C)C(NC(=O)C1CCCOC1)C(F)(F)F
InChIInChI=1S/C12H20F3NO2/c1-11(2,3)10(12(13,14)15)16-9(17)8-5-4-6-18-7-8/h8,10H,4-7H2,1-3H3,(H,16,17)
InChIKeyPYZVVUAEIBCFGI-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.51
Rot. Bonds2

About N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxane-3-carboxamide

N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxane-3-carboxamide (PubChem CID 71986117) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxane-3-carboxamide
PubChem CID71986117
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxane-3-carboxamide
SMILESCC(C)(C)C(NC(=O)C1CCCOC1)C(F)(F)F
InChIInChI=1S/C12H20F3NO2/c1-11(2,3)10(12(13,14)15)16-9(17)8-5-4-6-18-7-8/h8,10H,4-7H2,1-3H3,(H,16,17)
InChIKeyPYZVVUAEIBCFGI-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxane-3-carboxamide?
The IUPAC name of N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxane-3-carboxamide (CID 71986117) is N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxane-3-carboxamide.
What is the SMILES notation for N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxane-3-carboxamide?
The canonical SMILES for N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxane-3-carboxamide is CC(C)(C)C(NC(=O)C1CCCOC1)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxane-3-carboxamide?
The InChIKey is PYZVVUAEIBCFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-11(2,3)10(12(13,14)15)16-9(17)8-5-4-6-18-7-8/h8,10H,4-7H2,1-3H3,(H,16,17).
What are the key properties of N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxane-3-carboxamide?
N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxane-3-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxane-3-carboxamide is sourced from PubChem (CID 71986117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).