4-chloro-2,2,3,3,4,4-hexafluoro-N-(2-morpholin-4-ylethyl)butanamide

C10H13ClF6N2O2 — CID 4621111

IUPAC4-chloro-2,2,3,3,4,4-hexafluoro-N-(2-morpholin-4-ylethyl)butanamide
SMILESO=C(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C10H13ClF6N2O2/c11-10(16,17)9(14,15)8(12,13)7(20)18-1-2-19-3-5-21-6-4-19/h1-6H2,(H,18,20)
InChIKeyBSBHEYVHSJMBTH-UHFFFAOYSA-N
MW342.67 g/mol
LogP1.54
Rot. Bonds6

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

4-chloro-2,2,3,3,4,4-hexafluoro-N-(2-morpholin-4-ylethyl)butanamide (PubChem CID 4621111) has the molecular formula C10H13ClF6N2O2 and a molecular weight of 342.67 g/mol. Its IUPAC name is 4-chloro-2,2,3,3,4,4-hexafluoro-N-(2-morpholin-4-ylethyl)butanamide.

Molecular Properties

Compound Name4-chloro-2,2,3,3,4,4-hexafluoro-N-(2-morpholin-4-ylethyl)butanamide
PubChem CID4621111
Molecular FormulaC10H13ClF6N2O2
Molecular Weight342.67 g/mol
Exact Mass342.06
IUPAC Name4-chloro-2,2,3,3,4,4-hexafluoro-N-(2-morpholin-4-ylethyl)butanamide
SMILESO=C(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C10H13ClF6N2O2/c11-10(16,17)9(14,15)8(12,13)7(20)18-1-2-19-3-5-21-6-4-19/h1-6H2,(H,18,20)
InChIKeyBSBHEYVHSJMBTH-UHFFFAOYSA-N
XLogP1.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.67
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-morpholin-4-ylethyl)butanamide?
The IUPAC name of 4-chloro-2,2,3,3,4,4-hexafluoro-N-(2-morpholin-4-ylethyl)butanamide (CID 4621111) is 4-chloro-2,2,3,3,4,4-hexafluoro-N-(2-morpholin-4-ylethyl)butanamide.
What is the SMILES notation for 4-chloro-2,2,3,3,4,4-hexafluoro-N-(2-morpholin-4-ylethyl)butanamide?
The canonical SMILES for 4-chloro-2,2,3,3,4,4-hexafluoro-N-(2-morpholin-4-ylethyl)butanamide is O=C(NCCN1CCOCC1)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-morpholin-4-ylethyl)butanamide?
The InChIKey is BSBHEYVHSJMBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF6N2O2/c11-10(16,17)9(14,15)8(12,13)7(20)18-1-2-19-3-5-21-6-4-19/h1-6H2,(H,18,20).
What are the key properties of 4-chloro-2,2,3,3,4,4-hexafluoro-N-(2-morpholin-4-ylethyl)butanamide?
4-chloro-2,2,3,3,4,4-hexafluoro-N-(2-morpholin-4-ylethyl)butanamide has a molecular weight of 342.67 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,2,3,3,4,4-hexafluoro-N-(2-morpholin-4-ylethyl)butanamide is sourced from PubChem (CID 4621111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).