4-oxo-4-[4-(trifluoromethyl)phenyl]butanamide

C11H10F3NO2 — CID 142703913

IUPAC4-oxo-4-[4-(trifluoromethyl)phenyl]butanamide
SMILESNC(=O)CCC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)8-3-1-7(2-4-8)9(16)5-6-10(15)17/h1-4H,5-6H2,(H2,15,17)
InChIKeyKLNCBJIIQHYREH-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.15
Rot. Bonds4

About 4-oxo-4-[4-(trifluoromethyl)phenyl]butanamide

4-oxo-4-[4-(trifluoromethyl)phenyl]butanamide (PubChem CID 142703913) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 4-oxo-4-[4-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-oxo-4-[4-(trifluoromethyl)phenyl]butanamide
PubChem CID142703913
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name4-oxo-4-[4-(trifluoromethyl)phenyl]butanamide
SMILESNC(=O)CCC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)8-3-1-7(2-4-8)9(16)5-6-10(15)17/h1-4H,5-6H2,(H2,15,17)
InChIKeyKLNCBJIIQHYREH-UHFFFAOYSA-N
XLogP2.15
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-hydroxy-1-[4-(trifluoromethyl)phenyl]heptan-1-one
CID 66784650
1-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 159232432
1-[4-(trifluoromethyl)phenyl]heptan-1-one
CID 11459571
1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116548236
5-[4-(trifluoromethyl)phenyl]pentanamide
CID 162568096
ethyl 6-oxo-6-[4-(trifluoromethyl)phenyl]hexanoate
CID 24727520
3-oxo-3-[4-(trifluoromethyl)phenyl]propanal
CID 43114751
6-[4-(trifluoromethyl)phenyl]hexanamide
CID 66848410
methyl 6-oxo-6-[4-(trifluoromethyl)phenyl]hexanoate
CID 146008143
1-(1H-indol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione
CID 90363615
2-oxo-2-[4-(trifluoromethyl)phenyl]ethanesulfonic acid
CID 115049943
1-[4-(trifluoromethyl)phenyl]but-3-en-1-one
CID 10488800

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[4-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 4-oxo-4-[4-(trifluoromethyl)phenyl]butanamide (CID 142703913) is 4-oxo-4-[4-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 4-oxo-4-[4-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 4-oxo-4-[4-(trifluoromethyl)phenyl]butanamide is NC(=O)CCC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-oxo-4-[4-(trifluoromethyl)phenyl]butanamide?
The InChIKey is KLNCBJIIQHYREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c12-11(13,14)8-3-1-7(2-4-8)9(16)5-6-10(15)17/h1-4H,5-6H2,(H2,15,17).
What are the key properties of 4-oxo-4-[4-(trifluoromethyl)phenyl]butanamide?
4-oxo-4-[4-(trifluoromethyl)phenyl]butanamide has a molecular weight of 245.20 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[4-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 142703913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).