3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propanamide

C8H11F6NO3 — CID 103310153

IUPAC3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propanamide
SMILESO=C(C(C(F)(F)F)C(F)(F)F)N(CCO)CCO
InChIInChI=1S/C8H11F6NO3/c9-7(10,11)5(8(12,13)14)6(18)15(1-3-16)2-4-17/h5,16-17H,1-4H2
InChIKeyWXZPJTFQDLPRDR-UHFFFAOYSA-N
MW283.17 g/mol
LogP0.54
Rot. Bonds5

About 3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propanamide (PubChem CID 103310153) has the molecular formula C8H11F6NO3 and a molecular weight of 283.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propanamide
PubChem CID103310153
Molecular FormulaC8H11F6NO3
Molecular Weight283.17 g/mol
Exact Mass283.06
IUPAC Name3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propanamide
SMILESO=C(C(C(F)(F)F)C(F)(F)F)N(CCO)CCO
InChIInChI=1S/C8H11F6NO3/c9-7(10,11)5(8(12,13)14)6(18)15(1-3-16)2-4-17/h5,16-17H,1-4H2
InChIKeyWXZPJTFQDLPRDR-UHFFFAOYSA-N
XLogP0.54
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propanamide (CID 103310153) is 3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propanamide is O=C(C(C(F)(F)F)C(F)(F)F)N(CCO)CCO.
What is the InChIKey of 3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propanamide?
The InChIKey is WXZPJTFQDLPRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6NO3/c9-7(10,11)5(8(12,13)14)6(18)15(1-3-16)2-4-17/h5,16-17H,1-4H2.
What are the key properties of 3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propanamide has a molecular weight of 283.17 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).