N-(4,4,4-trifluoro-2-hydroxybutyl)propanamide

C7H12F3NO2 — CID 155183390

IUPACN-(4,4,4-trifluoro-2-hydroxybutyl)propanamide
SMILESCCC(=O)NCC(O)CC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-2-6(13)11-4-5(12)3-7(8,9)10/h5,12H,2-4H2,1H3,(H,11,13)
InChIKeyUYAJEQAZZWVFAA-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.83
Rot. Bonds4

About N-(4,4,4-trifluoro-2-hydroxybutyl)propanamide

N-(4,4,4-trifluoro-2-hydroxybutyl)propanamide (PubChem CID 155183390) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is N-(4,4,4-trifluoro-2-hydroxybutyl)propanamide.

Molecular Properties

Compound NameN-(4,4,4-trifluoro-2-hydroxybutyl)propanamide
PubChem CID155183390
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC NameN-(4,4,4-trifluoro-2-hydroxybutyl)propanamide
SMILESCCC(=O)NCC(O)CC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-2-6(13)11-4-5(12)3-7(8,9)10/h5,12H,2-4H2,1H3,(H,11,13)
InChIKeyUYAJEQAZZWVFAA-UHFFFAOYSA-N
XLogP0.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluoro-2-hydroxybutyl)propanamide?
The IUPAC name of N-(4,4,4-trifluoro-2-hydroxybutyl)propanamide (CID 155183390) is N-(4,4,4-trifluoro-2-hydroxybutyl)propanamide.
What is the SMILES notation for N-(4,4,4-trifluoro-2-hydroxybutyl)propanamide?
The canonical SMILES for N-(4,4,4-trifluoro-2-hydroxybutyl)propanamide is CCC(=O)NCC(O)CC(F)(F)F.
What is the InChIKey of N-(4,4,4-trifluoro-2-hydroxybutyl)propanamide?
The InChIKey is UYAJEQAZZWVFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-2-6(13)11-4-5(12)3-7(8,9)10/h5,12H,2-4H2,1H3,(H,11,13).
What are the key properties of N-(4,4,4-trifluoro-2-hydroxybutyl)propanamide?
N-(4,4,4-trifluoro-2-hydroxybutyl)propanamide has a molecular weight of 199.17 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluoro-2-hydroxybutyl)propanamide is sourced from PubChem (CID 155183390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).