1-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]ethanone

C11H11F3O2 — CID 163987983

IUPAC1-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]ethanone
SMILESCOCc1cc(C(C)=O)ccc1C(F)(F)F
InChIInChI=1S/C11H11F3O2/c1-7(15)8-3-4-10(11(12,13)14)9(5-8)6-16-2/h3-5H,6H2,1-2H3
InChIKeyTYAGANXGCMQTGB-UHFFFAOYSA-N
MW232.20 g/mol
LogP3.05
Rot. Bonds3

About 1-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]ethanone

1-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]ethanone (PubChem CID 163987983) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]ethanone
PubChem CID163987983
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name1-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]ethanone
SMILESCOCc1cc(C(C)=O)ccc1C(F)(F)F
InChIInChI=1S/C11H11F3O2/c1-7(15)8-3-4-10(11(12,13)14)9(5-8)6-16-2/h3-5H,6H2,1-2H3
InChIKeyTYAGANXGCMQTGB-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]ethanone (CID 163987983) is 1-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]ethanone is COCc1cc(C(C)=O)ccc1C(F)(F)F.
What is the InChIKey of 1-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is TYAGANXGCMQTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-7(15)8-3-4-10(11(12,13)14)9(5-8)6-16-2/h3-5H,6H2,1-2H3.
What are the key properties of 1-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]ethanone?
1-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 232.20 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 163987983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).