3,3,3-trifluoro-N-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)propanamide

C8H10F7NO — CID 23235143

IUPAC3,3,3-trifluoro-N-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)propanamide
SMILESCC(C)(F)CNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F7NO/c1-6(2,9)3-16-5(17)4(7(10,11)12)8(13,14)15/h4H,3H2,1-2H3,(H,16,17)
InChIKeyOVTAQBXPBYVQMM-UHFFFAOYSA-N
MW269.16 g/mol
LogP2.59
Rot. Bonds3

About 3,3,3-trifluoro-N-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)propanamide (PubChem CID 23235143) has the molecular formula C8H10F7NO and a molecular weight of 269.16 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)propanamide
PubChem CID23235143
Molecular FormulaC8H10F7NO
Molecular Weight269.16 g/mol
Exact Mass269.07
IUPAC Name3,3,3-trifluoro-N-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)propanamide
SMILESCC(C)(F)CNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F7NO/c1-6(2,9)3-16-5(17)4(7(10,11)12)8(13,14)15/h4H,3H2,1-2H3,(H,16,17)
InChIKeyOVTAQBXPBYVQMM-UHFFFAOYSA-N
XLogP2.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.16
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-butyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 2748453
3,3,3-trifluoro-N-(6-hydroxyhexyl)-2-(trifluoromethyl)propanamide
CID 107844083
N-(2-bromo-3-methylbutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103311077
3,3,3-trifluoro-N-(2-sulfamoylethyl)-2-(trifluoromethyl)propanamide
CID 103310839
N-(2,2-difluoropropyl)-2-methylpropanamide
CID 130436254
2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]pentanoic acid
CID 103309212
N-(3-bromo-4-methoxybutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 106245359
N-(2-chloro-3-methoxypropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103311002
N-butan-2-yl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 2748455
N-[(2S)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 7039939
N-[2-(dimethylamino)-2-methylpropyl]-2,2-difluoroacetamide
CID 103600685
N-(1-bromopropan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103311032

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)propanamide (CID 23235143) is 3,3,3-trifluoro-N-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)propanamide is CC(C)(F)CNC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)propanamide?
The InChIKey is OVTAQBXPBYVQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F7NO/c1-6(2,9)3-16-5(17)4(7(10,11)12)8(13,14)15/h4H,3H2,1-2H3,(H,16,17).
What are the key properties of 3,3,3-trifluoro-N-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)propanamide has a molecular weight of 269.16 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 23235143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).