4-chloro-2,2,3,3,4,4-hexafluoro-N-propan-2-ylbutanamide

C7H8ClF6NO — CID 5177738

IUPAC4-chloro-2,2,3,3,4,4-hexafluoro-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C7H8ClF6NO/c1-3(2)15-4(16)5(9,10)6(11,12)7(8,13)14/h3H,1-2H3,(H,15,16)
InChIKeyQBYDCLAXJIYPCE-UHFFFAOYSA-N
MW271.59 g/mol
LogP2.61
Rot. Bonds4

About 4-chloro-2,2,3,3,4,4-hexafluoro-N-propan-2-ylbutanamide

4-chloro-2,2,3,3,4,4-hexafluoro-N-propan-2-ylbutanamide (PubChem CID 5177738) has the molecular formula C7H8ClF6NO and a molecular weight of 271.59 g/mol. Its IUPAC name is 4-chloro-2,2,3,3,4,4-hexafluoro-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-chloro-2,2,3,3,4,4-hexafluoro-N-propan-2-ylbutanamide
PubChem CID5177738
Molecular FormulaC7H8ClF6NO
Molecular Weight271.59 g/mol
Exact Mass271.02
IUPAC Name4-chloro-2,2,3,3,4,4-hexafluoro-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C7H8ClF6NO/c1-3(2)15-4(16)5(9,10)6(11,12)7(8,13)14/h3H,1-2H3,(H,15,16)
InChIKeyQBYDCLAXJIYPCE-UHFFFAOYSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.59
LogP ≤ 52.61
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'}

Analyze 4-chloro-2,2,3,3,4,4-hexafluoro-N-propan-2-ylbutanamide 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 4-chloro-2,2,3,3,4,4-hexafluoro-N-propan-2-ylbutanamide?
The IUPAC name of 4-chloro-2,2,3,3,4,4-hexafluoro-N-propan-2-ylbutanamide (CID 5177738) is 4-chloro-2,2,3,3,4,4-hexafluoro-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-chloro-2,2,3,3,4,4-hexafluoro-N-propan-2-ylbutanamide?
The canonical SMILES for 4-chloro-2,2,3,3,4,4-hexafluoro-N-propan-2-ylbutanamide is CC(C)NC(=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-propan-2-ylbutanamide?
The InChIKey is QBYDCLAXJIYPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF6NO/c1-3(2)15-4(16)5(9,10)6(11,12)7(8,13)14/h3H,1-2H3,(H,15,16).
What are the key properties of 4-chloro-2,2,3,3,4,4-hexafluoro-N-propan-2-ylbutanamide?
4-chloro-2,2,3,3,4,4-hexafluoro-N-propan-2-ylbutanamide has a molecular weight of 271.59 g/mol, XLogP of 2.61, 4 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-propan-2-ylbutanamide is sourced from PubChem (CID 5177738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).