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

C8H9F8NO2 — CID 107483262

IUPACN-(2,2-difluoroethyl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide
SMILESO=C(C(C(F)(F)F)C(F)(F)F)N(CCO)CC(F)F
InChIInChI=1S/C8H9F8NO2/c9-4(10)3-17(1-2-18)6(19)5(7(11,12)13)8(14,15)16/h4-5,18H,1-3H2
InChIKeyBYRJNQHLUVPFFZ-UHFFFAOYSA-N
MW303.15 g/mol
LogP1.81
Rot. Bonds5

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

N-(2,2-difluoroethyl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide (PubChem CID 107483262) has the molecular formula C8H9F8NO2 and a molecular weight of 303.15 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide
PubChem CID107483262
Molecular FormulaC8H9F8NO2
Molecular Weight303.15 g/mol
Exact Mass303.05
IUPAC NameN-(2,2-difluoroethyl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide
SMILESO=C(C(C(F)(F)F)C(F)(F)F)N(CCO)CC(F)F
InChIInChI=1S/C8H9F8NO2/c9-4(10)3-17(1-2-18)6(19)5(7(11,12)13)8(14,15)16/h4-5,18H,1-3H2
InChIKeyBYRJNQHLUVPFFZ-UHFFFAOYSA-N
XLogP1.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide?
The IUPAC name of N-(2,2-difluoroethyl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide (CID 107483262) is N-(2,2-difluoroethyl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide is O=C(C(C(F)(F)F)C(F)(F)F)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide?
The InChIKey is BYRJNQHLUVPFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F8NO2/c9-4(10)3-17(1-2-18)6(19)5(7(11,12)13)8(14,15)16/h4-5,18H,1-3H2.
What are the key properties of N-(2,2-difluoroethyl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide?
N-(2,2-difluoroethyl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide has a molecular weight of 303.15 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 107483262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).