N-(2-ethyl-4-hydroxybutyl)-2,2,3,3-tetrafluoropropanamide

C9H15F4NO2 — CID 103771914

IUPACN-(2-ethyl-4-hydroxybutyl)-2,2,3,3-tetrafluoropropanamide
SMILESCCC(CCO)CNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C9H15F4NO2/c1-2-6(3-4-15)5-14-8(16)9(12,13)7(10)11/h6-7,15H,2-5H2,1H3,(H,14,16)
InChIKeyIVKSZAWZKQOWJF-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.41
Rot. Bonds7

About N-(2-ethyl-4-hydroxybutyl)-2,2,3,3-tetrafluoropropanamide

N-(2-ethyl-4-hydroxybutyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103771914) has the molecular formula C9H15F4NO2 and a molecular weight of 245.22 g/mol. Its IUPAC name is N-(2-ethyl-4-hydroxybutyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(2-ethyl-4-hydroxybutyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103771914
Molecular FormulaC9H15F4NO2
Molecular Weight245.22 g/mol
Exact Mass245.10
IUPAC NameN-(2-ethyl-4-hydroxybutyl)-2,2,3,3-tetrafluoropropanamide
SMILESCCC(CCO)CNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C9H15F4NO2/c1-2-6(3-4-15)5-14-8(16)9(12,13)7(10)11/h6-7,15H,2-5H2,1H3,(H,14,16)
InChIKeyIVKSZAWZKQOWJF-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-hydroxybutyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(2-ethyl-4-hydroxybutyl)-2,2,3,3-tetrafluoropropanamide (CID 103771914) is N-(2-ethyl-4-hydroxybutyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(2-ethyl-4-hydroxybutyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(2-ethyl-4-hydroxybutyl)-2,2,3,3-tetrafluoropropanamide is CCC(CCO)CNC(=O)C(F)(F)C(F)F.
What is the InChIKey of N-(2-ethyl-4-hydroxybutyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is IVKSZAWZKQOWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4NO2/c1-2-6(3-4-15)5-14-8(16)9(12,13)7(10)11/h6-7,15H,2-5H2,1H3,(H,14,16).
What are the key properties of N-(2-ethyl-4-hydroxybutyl)-2,2,3,3-tetrafluoropropanamide?
N-(2-ethyl-4-hydroxybutyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 245.22 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-hydroxybutyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103771914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).