2-deuterio-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

C8H12F3NO2 — CID 175992393

IUPAC2-deuterio-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILES[2H]C1(C(N)=O)CC(C)C(C)(C(F)(F)F)O1
InChIInChI=1S/C8H12F3NO2/c1-4-3-5(6(12)13)14-7(4,2)8(9,10)11/h4-5H,3H2,1-2H3,(H2,12,13)/i5D
InChIKeyVPTJJMXMNIPSNI-UICOGKGYSA-N
MW212.19 g/mol
LogP1.22
Rot. Bonds1

About 2-deuterio-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

2-deuterio-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 175992393) has the molecular formula C8H12F3NO2 and a molecular weight of 212.19 g/mol. Its IUPAC name is 2-deuterio-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name2-deuterio-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID175992393
Molecular FormulaC8H12F3NO2
Molecular Weight212.19 g/mol
Exact Mass212.09
IUPAC Name2-deuterio-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILES[2H]C1(C(N)=O)CC(C)C(C)(C(F)(F)F)O1
InChIInChI=1S/C8H12F3NO2/c1-4-3-5(6(12)13)14-7(4,2)8(9,10)11/h4-5H,3H2,1-2H3,(H2,12,13)/i5D
InChIKeyVPTJJMXMNIPSNI-UICOGKGYSA-N
XLogP1.22
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-deuterio-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of 2-deuterio-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 175992393) is 2-deuterio-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for 2-deuterio-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for 2-deuterio-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is [2H]C1(C(N)=O)CC(C)C(C)(C(F)(F)F)O1.
What is the InChIKey of 2-deuterio-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is VPTJJMXMNIPSNI-UICOGKGYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-4-3-5(6(12)13)14-7(4,2)8(9,10)11/h4-5H,3H2,1-2H3,(H2,12,13)/i5D.
What are the key properties of 2-deuterio-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
2-deuterio-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 212.19 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 175992393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).