N-butyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide

C8H11F6NO2 — CID 99770159

IUPACN-butyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide
SMILESCCCCNC(=O)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO2/c1-2-3-4-15-5(16)6(17,7(9,10)11)8(12,13)14/h17H,2-4H2,1H3,(H,15,16)
InChIKeyBXWYOXXZMKITKA-UHFFFAOYSA-N
MW267.17 g/mol
LogP1.76
Rot. Bonds4

About N-butyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide

N-butyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide (PubChem CID 99770159) has the molecular formula C8H11F6NO2 and a molecular weight of 267.17 g/mol. Its IUPAC name is N-butyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-butyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide
PubChem CID99770159
Molecular FormulaC8H11F6NO2
Molecular Weight267.17 g/mol
Exact Mass267.07
IUPAC NameN-butyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide
SMILESCCCCNC(=O)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO2/c1-2-3-4-15-5(16)6(17,7(9,10)11)8(12,13)14/h17H,2-4H2,1H3,(H,15,16)
InChIKeyBXWYOXXZMKITKA-UHFFFAOYSA-N
XLogP1.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide?
The IUPAC name of N-butyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide (CID 99770159) is N-butyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-butyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-butyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide is CCCCNC(=O)C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-butyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide?
The InChIKey is BXWYOXXZMKITKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6NO2/c1-2-3-4-15-5(16)6(17,7(9,10)11)8(12,13)14/h17H,2-4H2,1H3,(H,15,16).
What are the key properties of N-butyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide?
N-butyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide has a molecular weight of 267.17 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 99770159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).