4-chloro-2,2,3,3,4,4-hexafluoro-N-(2-methylpropyl)butanamide

C8H10ClF6NO — CID 3627859

IUPAC4-chloro-2,2,3,3,4,4-hexafluoro-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C8H10ClF6NO/c1-4(2)3-16-5(17)6(10,11)7(12,13)8(9,14)15/h4H,3H2,1-2H3,(H,16,17)
InChIKeyTVNJCRBNCPUJJY-UHFFFAOYSA-N
MW285.62 g/mol
LogP2.86
Rot. Bonds5

About 4-chloro-2,2,3,3,4,4-hexafluoro-N-(2-methylpropyl)butanamide

4-chloro-2,2,3,3,4,4-hexafluoro-N-(2-methylpropyl)butanamide (PubChem CID 3627859) has the molecular formula C8H10ClF6NO and a molecular weight of 285.62 g/mol. Its IUPAC name is 4-chloro-2,2,3,3,4,4-hexafluoro-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name4-chloro-2,2,3,3,4,4-hexafluoro-N-(2-methylpropyl)butanamide
PubChem CID3627859
Molecular FormulaC8H10ClF6NO
Molecular Weight285.62 g/mol
Exact Mass285.04
IUPAC Name4-chloro-2,2,3,3,4,4-hexafluoro-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C8H10ClF6NO/c1-4(2)3-16-5(17)6(10,11)7(12,13)8(9,14)15/h4H,3H2,1-2H3,(H,16,17)
InChIKeyTVNJCRBNCPUJJY-UHFFFAOYSA-N
XLogP2.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.62
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,2,3,3,4,4-hexafluoro-N-(2-methylpropyl)butanamide?
The IUPAC name of 4-chloro-2,2,3,3,4,4-hexafluoro-N-(2-methylpropyl)butanamide (CID 3627859) is 4-chloro-2,2,3,3,4,4-hexafluoro-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 4-chloro-2,2,3,3,4,4-hexafluoro-N-(2-methylpropyl)butanamide?
The canonical SMILES for 4-chloro-2,2,3,3,4,4-hexafluoro-N-(2-methylpropyl)butanamide is CC(C)CNC(=O)C(F)(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 4-chloro-2,2,3,3,4,4-hexafluoro-N-(2-methylpropyl)butanamide?
The InChIKey is TVNJCRBNCPUJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF6NO/c1-4(2)3-16-5(17)6(10,11)7(12,13)8(9,14)15/h4H,3H2,1-2H3,(H,16,17).
What are the key properties of 4-chloro-2,2,3,3,4,4-hexafluoro-N-(2-methylpropyl)butanamide?
4-chloro-2,2,3,3,4,4-hexafluoro-N-(2-methylpropyl)butanamide has a molecular weight of 285.62 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,2,3,3,4,4-hexafluoro-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 3627859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).