2,2,3-trifluoro-3-(4-phenylphenyl)pentanamide

C17H16F3NO — CID 69092136

IUPAC2,2,3-trifluoro-3-(4-phenylphenyl)pentanamide
SMILESCCC(F)(c1ccc(-c2ccccc2)cc1)C(F)(F)C(N)=O
InChIInChI=1S/C17H16F3NO/c1-2-16(18,17(19,20)15(21)22)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H2,21,22)
InChIKeyURZWVJRRKICFES-UHFFFAOYSA-N
MW307.31 g/mol
LogP4.05
Rot. Bonds5

About 2,2,3-trifluoro-3-(4-phenylphenyl)pentanamide

2,2,3-trifluoro-3-(4-phenylphenyl)pentanamide (PubChem CID 69092136) has the molecular formula C17H16F3NO and a molecular weight of 307.31 g/mol. Its IUPAC name is 2,2,3-trifluoro-3-(4-phenylphenyl)pentanamide.

Molecular Properties

Compound Name2,2,3-trifluoro-3-(4-phenylphenyl)pentanamide
PubChem CID69092136
Molecular FormulaC17H16F3NO
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name2,2,3-trifluoro-3-(4-phenylphenyl)pentanamide
SMILESCCC(F)(c1ccc(-c2ccccc2)cc1)C(F)(F)C(N)=O
InChIInChI=1S/C17H16F3NO/c1-2-16(18,17(19,20)15(21)22)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H2,21,22)
InChIKeyURZWVJRRKICFES-UHFFFAOYSA-N
XLogP4.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-3-(4-phenylphenyl)pentanamide?
The IUPAC name of 2,2,3-trifluoro-3-(4-phenylphenyl)pentanamide (CID 69092136) is 2,2,3-trifluoro-3-(4-phenylphenyl)pentanamide.
What is the SMILES notation for 2,2,3-trifluoro-3-(4-phenylphenyl)pentanamide?
The canonical SMILES for 2,2,3-trifluoro-3-(4-phenylphenyl)pentanamide is CCC(F)(c1ccc(-c2ccccc2)cc1)C(F)(F)C(N)=O.
What is the InChIKey of 2,2,3-trifluoro-3-(4-phenylphenyl)pentanamide?
The InChIKey is URZWVJRRKICFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO/c1-2-16(18,17(19,20)15(21)22)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H2,21,22).
What are the key properties of 2,2,3-trifluoro-3-(4-phenylphenyl)pentanamide?
2,2,3-trifluoro-3-(4-phenylphenyl)pentanamide has a molecular weight of 307.31 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-3-(4-phenylphenyl)pentanamide is sourced from PubChem (CID 69092136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).