4-(4,4,4-trifluorobutoxy)benzamide

C11H12F3NO2 — CID 169016567

IUPAC4-(4,4,4-trifluorobutoxy)benzamide
SMILESNC(=O)c1ccc(OCCCC(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)6-1-7-17-9-4-2-8(3-5-9)10(15)16/h2-5H,1,6-7H2,(H2,15,16)
InChIKeyUSVVRUPANSWUPJ-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.51
Rot. Bonds5

About 4-(4,4,4-trifluorobutoxy)benzamide

4-(4,4,4-trifluorobutoxy)benzamide (PubChem CID 169016567) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 4-(4,4,4-trifluorobutoxy)benzamide.

Molecular Properties

Compound Name4-(4,4,4-trifluorobutoxy)benzamide
PubChem CID169016567
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name4-(4,4,4-trifluorobutoxy)benzamide
SMILESNC(=O)c1ccc(OCCCC(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)6-1-7-17-9-4-2-8(3-5-9)10(15)16/h2-5H,1,6-7H2,(H2,15,16)
InChIKeyUSVVRUPANSWUPJ-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4,4,4-trifluorobutoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4,4,4-trifluorobutoxy)benzenecarboperoxoic acid
CID 146939193
N'-hydroxy-4-(4,4,4-trifluorobutoxy)benzenecarboximidamide
CID 113326452
4-[2-(4,4,4-trifluorobutoxy)ethoxy]benzoic acid
CID 82788697
2-[4-(4,4,4-trifluorobutoxy)phenyl]guanidine
CID 142687187
1-(4-butoxyphenyl)-5,5,5-trifluoropentan-1-one
CID 105123323
N-hydroxy-4-(11,11,11-trifluoroundecoxy)benzamide
CID 162621629
2-methylbutan-2-yl 4-(4,4,4-trifluorobutoxy)benzoate
CID 145345570
1-(4-butoxyphenyl)-4,4,4-trifluorobutan-1-one
CID 105106823
(4-formylphenyl) 4-(4,4,4-trifluorobutoxy)benzoate
CID 59850427
4-(3,3-dimethyl-4-oxobutoxy)benzamide
CID 57193275
4-(4,4,4-trifluorobutoxy)benzene-1,2-diamine
CID 106748542
2-[4-(4,4,4-trifluorobutoxy)anilino]ethyl acetate
CID 142257655

Frequently Asked Questions

What is the IUPAC name of 4-(4,4,4-trifluorobutoxy)benzamide?
The IUPAC name of 4-(4,4,4-trifluorobutoxy)benzamide (CID 169016567) is 4-(4,4,4-trifluorobutoxy)benzamide.
What is the SMILES notation for 4-(4,4,4-trifluorobutoxy)benzamide?
The canonical SMILES for 4-(4,4,4-trifluorobutoxy)benzamide is NC(=O)c1ccc(OCCCC(F)(F)F)cc1.
What is the InChIKey of 4-(4,4,4-trifluorobutoxy)benzamide?
The InChIKey is USVVRUPANSWUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c12-11(13,14)6-1-7-17-9-4-2-8(3-5-9)10(15)16/h2-5H,1,6-7H2,(H2,15,16).
What are the key properties of 4-(4,4,4-trifluorobutoxy)benzamide?
4-(4,4,4-trifluorobutoxy)benzamide has a molecular weight of 247.22 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4,4-trifluorobutoxy)benzamide is sourced from PubChem (CID 169016567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).