1,1,1-trifluoro-3-(3-methoxyphenyl)propan-2-one

C10H9F3O2 — CID 24726859

IUPAC1,1,1-trifluoro-3-(3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)C(F)(F)F)c1
InChIInChI=1S/C10H9F3O2/c1-15-8-4-2-3-7(5-8)6-9(14)10(11,12)13/h2-5H,6H2,1H3
InChIKeyCFXRVYZFEKPHSO-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.37
Rot. Bonds3

About 1,1,1-trifluoro-3-(3-methoxyphenyl)propan-2-one

1,1,1-trifluoro-3-(3-methoxyphenyl)propan-2-one (PubChem CID 24726859) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(3-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(3-methoxyphenyl)propan-2-one
PubChem CID24726859
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name1,1,1-trifluoro-3-(3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)C(F)(F)F)c1
InChIInChI=1S/C10H9F3O2/c1-15-8-4-2-3-7(5-8)6-9(14)10(11,12)13/h2-5H,6H2,1H3
InChIKeyCFXRVYZFEKPHSO-UHFFFAOYSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
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2,2,2-trifluoro-N-[[3-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]methyl]acetamide
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acetamide;2-(3-methoxyphenyl)acetyl chloride
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1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(3-methoxyphenyl)propan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-(3-methoxyphenyl)propan-2-one (CID 24726859) is 1,1,1-trifluoro-3-(3-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-(3-methoxyphenyl)propan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-(3-methoxyphenyl)propan-2-one is COc1cccc(CC(=O)C(F)(F)F)c1.
What is the InChIKey of 1,1,1-trifluoro-3-(3-methoxyphenyl)propan-2-one?
The InChIKey is CFXRVYZFEKPHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c1-15-8-4-2-3-7(5-8)6-9(14)10(11,12)13/h2-5H,6H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(3-methoxyphenyl)propan-2-one?
1,1,1-trifluoro-3-(3-methoxyphenyl)propan-2-one has a molecular weight of 218.17 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(3-methoxyphenyl)propan-2-one is sourced from PubChem (CID 24726859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).