2,2,3,4,4,4-hexafluoro-N-(2,2,3,4,4,4-hexafluorobutyl)-3-methylbutanamide

C9H7F12NO — CID 57042289

IUPAC2,2,3,4,4,4-hexafluoro-N-(2,2,3,4,4,4-hexafluorobutyl)-3-methylbutanamide
SMILESCC(F)(C(F)(F)F)C(F)(F)C(=O)NCC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C9H7F12NO/c1-5(11,9(19,20)21)7(14,15)4(23)22-2-6(12,13)3(10)8(16,17)18/h3H,2H2,1H3,(H,22,23)
InChIKeyQDMFGTQFCPBROP-UHFFFAOYSA-N
MW373.14 g/mol
LogP3.56
Rot. Bonds5

About 2,2,3,4,4,4-hexafluoro-N-(2,2,3,4,4,4-hexafluorobutyl)-3-methylbutanamide

2,2,3,4,4,4-hexafluoro-N-(2,2,3,4,4,4-hexafluorobutyl)-3-methylbutanamide (PubChem CID 57042289) has the molecular formula C9H7F12NO and a molecular weight of 373.14 g/mol. Its IUPAC name is 2,2,3,4,4,4-hexafluoro-N-(2,2,3,4,4,4-hexafluorobutyl)-3-methylbutanamide.

Molecular Properties

Compound Name2,2,3,4,4,4-hexafluoro-N-(2,2,3,4,4,4-hexafluorobutyl)-3-methylbutanamide
PubChem CID57042289
Molecular FormulaC9H7F12NO
Molecular Weight373.14 g/mol
Exact Mass373.03
IUPAC Name2,2,3,4,4,4-hexafluoro-N-(2,2,3,4,4,4-hexafluorobutyl)-3-methylbutanamide
SMILESCC(F)(C(F)(F)F)C(F)(F)C(=O)NCC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C9H7F12NO/c1-5(11,9(19,20)21)7(14,15)4(23)22-2-6(12,13)3(10)8(16,17)18/h3H,2H2,1H3,(H,22,23)
InChIKeyQDMFGTQFCPBROP-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.14
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2,3,4,4,4-hexafluoro-N-(2,2,3,4,4,4-hexafluorobutyl)-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,4,4-hexafluoro-N-(2,2,3,4,4,4-hexafluorobutyl)-3-methylbutanamide?
The IUPAC name of 2,2,3,4,4,4-hexafluoro-N-(2,2,3,4,4,4-hexafluorobutyl)-3-methylbutanamide (CID 57042289) is 2,2,3,4,4,4-hexafluoro-N-(2,2,3,4,4,4-hexafluorobutyl)-3-methylbutanamide.
What is the SMILES notation for 2,2,3,4,4,4-hexafluoro-N-(2,2,3,4,4,4-hexafluorobutyl)-3-methylbutanamide?
The canonical SMILES for 2,2,3,4,4,4-hexafluoro-N-(2,2,3,4,4,4-hexafluorobutyl)-3-methylbutanamide is CC(F)(C(F)(F)F)C(F)(F)C(=O)NCC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 2,2,3,4,4,4-hexafluoro-N-(2,2,3,4,4,4-hexafluorobutyl)-3-methylbutanamide?
The InChIKey is QDMFGTQFCPBROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F12NO/c1-5(11,9(19,20)21)7(14,15)4(23)22-2-6(12,13)3(10)8(16,17)18/h3H,2H2,1H3,(H,22,23).
What are the key properties of 2,2,3,4,4,4-hexafluoro-N-(2,2,3,4,4,4-hexafluorobutyl)-3-methylbutanamide?
2,2,3,4,4,4-hexafluoro-N-(2,2,3,4,4,4-hexafluorobutyl)-3-methylbutanamide has a molecular weight of 373.14 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,4,4-hexafluoro-N-(2,2,3,4,4,4-hexafluorobutyl)-3-methylbutanamide is sourced from PubChem (CID 57042289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).