4-phenyl-4-(trifluoromethoxy)butanamide

C11H12F3NO2 — CID 70113430

IUPAC4-phenyl-4-(trifluoromethoxy)butanamide
SMILESNC(=O)CCC(OC(F)(F)F)c1ccccc1
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)17-9(6-7-10(15)16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,15,16)
InChIKeyKMNKSYGPOWJIJT-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.53
Rot. Bonds5

About 4-phenyl-4-(trifluoromethoxy)butanamide

4-phenyl-4-(trifluoromethoxy)butanamide (PubChem CID 70113430) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 4-phenyl-4-(trifluoromethoxy)butanamide.

Molecular Properties

Compound Name4-phenyl-4-(trifluoromethoxy)butanamide
PubChem CID70113430
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name4-phenyl-4-(trifluoromethoxy)butanamide
SMILESNC(=O)CCC(OC(F)(F)F)c1ccccc1
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)17-9(6-7-10(15)16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,15,16)
InChIKeyKMNKSYGPOWJIJT-UHFFFAOYSA-N
XLogP2.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4-(trifluoromethoxy)butanamide?
The IUPAC name of 4-phenyl-4-(trifluoromethoxy)butanamide (CID 70113430) is 4-phenyl-4-(trifluoromethoxy)butanamide.
What is the SMILES notation for 4-phenyl-4-(trifluoromethoxy)butanamide?
The canonical SMILES for 4-phenyl-4-(trifluoromethoxy)butanamide is NC(=O)CCC(OC(F)(F)F)c1ccccc1.
What is the InChIKey of 4-phenyl-4-(trifluoromethoxy)butanamide?
The InChIKey is KMNKSYGPOWJIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c12-11(13,14)17-9(6-7-10(15)16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,15,16).
What are the key properties of 4-phenyl-4-(trifluoromethoxy)butanamide?
4-phenyl-4-(trifluoromethoxy)butanamide has a molecular weight of 247.22 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4-(trifluoromethoxy)butanamide is sourced from PubChem (CID 70113430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).