2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(4-hydroxybutyl)-N-methylhexanamide

C11H12F11NO2 — CID 91227751

IUPAC2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(4-hydroxybutyl)-N-methylhexanamide
SMILESCN(CCCCO)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H12F11NO2/c1-23(4-2-3-5-24)6(25)7(12,13)8(14,15)9(16,17)10(18,19)11(20,21)22/h24H,2-5H2,1H3
InChIKeyFDFUOIWQOHXCFJ-UHFFFAOYSA-N
MW399.20 g/mol
LogP3.32
Rot. Bonds8

About 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(4-hydroxybutyl)-N-methylhexanamide

2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(4-hydroxybutyl)-N-methylhexanamide (PubChem CID 91227751) has the molecular formula C11H12F11NO2 and a molecular weight of 399.20 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(4-hydroxybutyl)-N-methylhexanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(4-hydroxybutyl)-N-methylhexanamide
PubChem CID91227751
Molecular FormulaC11H12F11NO2
Molecular Weight399.20 g/mol
Exact Mass399.07
IUPAC Name2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(4-hydroxybutyl)-N-methylhexanamide
SMILESCN(CCCCO)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H12F11NO2/c1-23(4-2-3-5-24)6(25)7(12,13)8(14,15)9(16,17)10(18,19)11(20,21)22/h24H,2-5H2,1H3
InChIKeyFDFUOIWQOHXCFJ-UHFFFAOYSA-N
XLogP3.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.20
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(4-hydroxybutyl)-N-methylhexanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(4-hydroxybutyl)-N-methylhexanamide (CID 91227751) is 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(4-hydroxybutyl)-N-methylhexanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(4-hydroxybutyl)-N-methylhexanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(4-hydroxybutyl)-N-methylhexanamide is CN(CCCCO)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(4-hydroxybutyl)-N-methylhexanamide?
The InChIKey is FDFUOIWQOHXCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F11NO2/c1-23(4-2-3-5-24)6(25)7(12,13)8(14,15)9(16,17)10(18,19)11(20,21)22/h24H,2-5H2,1H3.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(4-hydroxybutyl)-N-methylhexanamide?
2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(4-hydroxybutyl)-N-methylhexanamide has a molecular weight of 399.20 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(4-hydroxybutyl)-N-methylhexanamide is sourced from PubChem (CID 91227751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).