2,2,2-trifluoro-1-(2-hydroxy-6-methylphenyl)ethanone

C9H7F3O2 — CID 54331984

IUPAC2,2,2-trifluoro-1-(2-hydroxy-6-methylphenyl)ethanone
SMILESCc1cccc(O)c1C(=O)C(F)(F)F
InChIInChI=1S/C9H7F3O2/c1-5-3-2-4-6(13)7(5)8(14)9(10,11)12/h2-4,13H,1H3
InChIKeySYZFOMWSXPYVQS-UHFFFAOYSA-N
MW204.15 g/mol
LogP2.45
Rot. Bonds1

About 2,2,2-trifluoro-1-(2-hydroxy-6-methylphenyl)ethanone

2,2,2-trifluoro-1-(2-hydroxy-6-methylphenyl)ethanone (PubChem CID 54331984) has the molecular formula C9H7F3O2 and a molecular weight of 204.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-hydroxy-6-methylphenyl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-hydroxy-6-methylphenyl)ethanone
PubChem CID54331984
Molecular FormulaC9H7F3O2
Molecular Weight204.15 g/mol
Exact Mass204.04
IUPAC Name2,2,2-trifluoro-1-(2-hydroxy-6-methylphenyl)ethanone
SMILESCc1cccc(O)c1C(=O)C(F)(F)F
InChIInChI=1S/C9H7F3O2/c1-5-3-2-4-6(13)7(5)8(14)9(10,11)12/h2-4,13H,1H3
InChIKeySYZFOMWSXPYVQS-UHFFFAOYSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-hydroxy-6-methylphenyl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(2-hydroxy-6-methylphenyl)ethanone (CID 54331984) is 2,2,2-trifluoro-1-(2-hydroxy-6-methylphenyl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-hydroxy-6-methylphenyl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(2-hydroxy-6-methylphenyl)ethanone is Cc1cccc(O)c1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2-hydroxy-6-methylphenyl)ethanone?
The InChIKey is SYZFOMWSXPYVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O2/c1-5-3-2-4-6(13)7(5)8(14)9(10,11)12/h2-4,13H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(2-hydroxy-6-methylphenyl)ethanone?
2,2,2-trifluoro-1-(2-hydroxy-6-methylphenyl)ethanone has a molecular weight of 204.15 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-hydroxy-6-methylphenyl)ethanone is sourced from PubChem (CID 54331984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).