2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)acetamide

C4H3F6NO — CID 3013876

IUPAC2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(NCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3F6NO/c5-3(6,7)1-11-2(12)4(8,9)10/h1H2,(H,11,12)
InChIKeyOVRXBUODRQZROG-UHFFFAOYSA-N
MW195.06 g/mol
LogP1.23
Rot. Bonds1

About 2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)acetamide

2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 3013876) has the molecular formula C4H3F6NO and a molecular weight of 195.06 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID3013876
Molecular FormulaC4H3F6NO
Molecular Weight195.06 g/mol
Exact Mass195.01
IUPAC Name2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(NCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3F6NO/c5-3(6,7)1-11-2(12)4(8,9)10/h1H2,(H,11,12)
InChIKeyOVRXBUODRQZROG-UHFFFAOYSA-N
XLogP1.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.06
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)acetamide (CID 3013876) is 2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)acetamide is O=C(NCC(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OVRXBUODRQZROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F6NO/c5-3(6,7)1-11-2(12)4(8,9)10/h1H2,(H,11,12).
What are the key properties of 2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)acetamide?
2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 195.06 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 3013876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).