3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide

C7H9F6NO2 — CID 103857491

IUPAC3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CC(F)(F)F)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H9F6NO2/c8-6(9,10)3-5(16)14(1-2-15)4-7(11,12)13/h15H,1-4H2
InChIKeyCHYFJZLCPCUDRK-UHFFFAOYSA-N
MW253.14 g/mol
LogP1.32
Rot. Bonds4

About 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide

3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 103857491) has the molecular formula C7H9F6NO2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID103857491
Molecular FormulaC7H9F6NO2
Molecular Weight253.14 g/mol
Exact Mass253.05
IUPAC Name3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CC(F)(F)F)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H9F6NO2/c8-6(9,10)3-5(16)14(1-2-15)4-7(11,12)13/h15H,1-4H2
InChIKeyCHYFJZLCPCUDRK-UHFFFAOYSA-N
XLogP1.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 103857491) is 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide is O=C(CC(F)(F)F)N(CCO)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is CHYFJZLCPCUDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F6NO2/c8-6(9,10)3-5(16)14(1-2-15)4-7(11,12)13/h15H,1-4H2.
What are the key properties of 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 253.14 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 103857491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).