2-[(3S)-oxolan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

C8H12F3NO2 — CID 164768137

IUPAC2-[(3S)-oxolan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(C[C@@H]1CCOC1)NCC(F)(F)F
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)5-12-7(13)3-6-1-2-14-4-6/h6H,1-5H2,(H,12,13)/t6-/m0/s1
InChIKeyOULLEJGNAWYOER-LURJTMIESA-N
MW211.18 g/mol
LogP1.09
Rot. Bonds3

About 2-[(3S)-oxolan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[(3S)-oxolan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 164768137) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2-[(3S)-oxolan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-oxolan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID164768137
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name2-[(3S)-oxolan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(C[C@@H]1CCOC1)NCC(F)(F)F
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)5-12-7(13)3-6-1-2-14-4-6/h6H,1-5H2,(H,12,13)/t6-/m0/s1
InChIKeyOULLEJGNAWYOER-LURJTMIESA-N
XLogP1.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-oxolan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(3S)-oxolan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 164768137) is 2-[(3S)-oxolan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(3S)-oxolan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(3S)-oxolan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(C[C@@H]1CCOC1)NCC(F)(F)F.
What is the InChIKey of 2-[(3S)-oxolan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OULLEJGNAWYOER-LURJTMIESA-N. The full InChI is InChI=1S/C8H12F3NO2/c9-8(10,11)5-12-7(13)3-6-1-2-14-4-6/h6H,1-5H2,(H,12,13)/t6-/m0/s1.
What are the key properties of 2-[(3S)-oxolan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(3S)-oxolan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 211.18 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-oxolan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 164768137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).