1-[4-(2,2,2-trifluoroethyl)phenyl]ethanone

C10H9F3O — CID 10488304

IUPAC1-[4-(2,2,2-trifluoroethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C10H9F3O/c1-7(14)9-4-2-8(3-5-9)6-10(11,12)13/h2-5H,6H2,1H3
InChIKeyVZKLOWIZQFIXSC-UHFFFAOYSA-N
MW202.17 g/mol
LogP2.99
Rot. Bonds2

About 1-[4-(2,2,2-trifluoroethyl)phenyl]ethanone

1-[4-(2,2,2-trifluoroethyl)phenyl]ethanone (PubChem CID 10488304) has the molecular formula C10H9F3O and a molecular weight of 202.17 g/mol. Its IUPAC name is 1-[4-(2,2,2-trifluoroethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2,2,2-trifluoroethyl)phenyl]ethanone
PubChem CID10488304
Molecular FormulaC10H9F3O
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name1-[4-(2,2,2-trifluoroethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C10H9F3O/c1-7(14)9-4-2-8(3-5-9)6-10(11,12)13/h2-5H,6H2,1H3
InChIKeyVZKLOWIZQFIXSC-UHFFFAOYSA-N
XLogP2.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2,2-trifluoroethyl)phenyl]ethanone?
The IUPAC name of 1-[4-(2,2,2-trifluoroethyl)phenyl]ethanone (CID 10488304) is 1-[4-(2,2,2-trifluoroethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2,2,2-trifluoroethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(2,2,2-trifluoroethyl)phenyl]ethanone is CC(=O)c1ccc(CC(F)(F)F)cc1.
What is the InChIKey of 1-[4-(2,2,2-trifluoroethyl)phenyl]ethanone?
The InChIKey is VZKLOWIZQFIXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O/c1-7(14)9-4-2-8(3-5-9)6-10(11,12)13/h2-5H,6H2,1H3.
What are the key properties of 1-[4-(2,2,2-trifluoroethyl)phenyl]ethanone?
1-[4-(2,2,2-trifluoroethyl)phenyl]ethanone has a molecular weight of 202.17 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2,2-trifluoroethyl)phenyl]ethanone is sourced from PubChem (CID 10488304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).