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

C6H7F6NO2 — CID 64591864

IUPAC2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(N(CCO)CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F6NO2/c7-5(8,9)3-13(1-2-14)4(15)6(10,11)12/h14H,1-3H2
InChIKeyDOYVFAOJWMOZOL-UHFFFAOYSA-N
MW239.11 g/mol
LogP0.93
Rot. Bonds3

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

2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 64591864) has the molecular formula C6H7F6NO2 and a molecular weight of 239.11 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID64591864
Molecular FormulaC6H7F6NO2
Molecular Weight239.11 g/mol
Exact Mass239.04
IUPAC Name2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(N(CCO)CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F6NO2/c7-5(8,9)3-13(1-2-14)4(15)6(10,11)12/h14H,1-3H2
InChIKeyDOYVFAOJWMOZOL-UHFFFAOYSA-N
XLogP0.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 64591864) is 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(N(CCO)CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is DOYVFAOJWMOZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F6NO2/c7-5(8,9)3-13(1-2-14)4(15)6(10,11)12/h14H,1-3H2.
What are the key properties of 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 239.11 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 64591864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).