N-ethyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide

C6H7F6NO2 — CID 89147985

IUPACN-ethyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide
SMILESCCNC(=O)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F6NO2/c1-2-13-3(14)4(15,5(7,8)9)6(10,11)12/h15H,2H2,1H3,(H,13,14)
InChIKeyUDLHHIOQKRFWMP-UHFFFAOYSA-N
MW239.12 g/mol
LogP0.98
Rot. Bonds2

About N-ethyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide

N-ethyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide (PubChem CID 89147985) has the molecular formula C6H7F6NO2 and a molecular weight of 239.12 g/mol. Its IUPAC name is N-ethyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-ethyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide
PubChem CID89147985
Molecular FormulaC6H7F6NO2
Molecular Weight239.12 g/mol
Exact Mass239.04
IUPAC NameN-ethyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide
SMILESCCNC(=O)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F6NO2/c1-2-13-3(14)4(15,5(7,8)9)6(10,11)12/h15H,2H2,1H3,(H,13,14)
InChIKeyUDLHHIOQKRFWMP-UHFFFAOYSA-N
XLogP0.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide?
The IUPAC name of N-ethyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide (CID 89147985) is N-ethyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-ethyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-ethyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide is CCNC(=O)C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-ethyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide?
The InChIKey is UDLHHIOQKRFWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F6NO2/c1-2-13-3(14)4(15,5(7,8)9)6(10,11)12/h15H,2H2,1H3,(H,13,14).
What are the key properties of N-ethyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide?
N-ethyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide has a molecular weight of 239.12 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 89147985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).