N-(2-cyclopropyl-2-hydroxyethyl)-2,2,3,3-tetrafluoropropanamide

C8H11F4NO2 — CID 103761262

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NCC(O)C1CC1)C(F)(F)C(F)F
InChIInChI=1S/C8H11F4NO2/c9-6(10)8(11,12)7(15)13-3-5(14)4-1-2-4/h4-6,14H,1-3H2,(H,13,15)
InChIKeyUVHPWMSOBDKGTI-UHFFFAOYSA-N
MW229.17 g/mol
LogP0.77
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxyethyl)-2,2,3,3-tetrafluoropropanamide

N-(2-cyclopropyl-2-hydroxyethyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103761262) has the molecular formula C8H11F4NO2 and a molecular weight of 229.17 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103761262
Molecular FormulaC8H11F4NO2
Molecular Weight229.17 g/mol
Exact Mass229.07
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NCC(O)C1CC1)C(F)(F)C(F)F
InChIInChI=1S/C8H11F4NO2/c9-6(10)8(11,12)7(15)13-3-5(14)4-1-2-4/h4-6,14H,1-3H2,(H,13,15)
InChIKeyUVHPWMSOBDKGTI-UHFFFAOYSA-N
XLogP0.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.17
LogP ≤ 50.77
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-cyclopropyl-2-hydroxyethyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2,2,3,3-tetrafluoropropanamide (CID 103761262) is N-(2-cyclopropyl-2-hydroxyethyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-2,2,3,3-tetrafluoropropanamide is O=C(NCC(O)C1CC1)C(F)(F)C(F)F.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is UVHPWMSOBDKGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4NO2/c9-6(10)8(11,12)7(15)13-3-5(14)4-1-2-4/h4-6,14H,1-3H2,(H,13,15).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-2,2,3,3-tetrafluoropropanamide?
N-(2-cyclopropyl-2-hydroxyethyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 229.17 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103761262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).