1-(methoxymethyl)-2-(trifluoromethyl)benzene

C9H9F3O — CID 21281621

IUPAC1-(methoxymethyl)-2-(trifluoromethyl)benzene
SMILESCOCc1ccccc1C(F)(F)F
InChIInChI=1S/C9H9F3O/c1-13-6-7-4-2-3-5-8(7)9(10,11)12/h2-5H,6H2,1H3
InChIKeyCRUXDWLVMHPQCP-UHFFFAOYSA-N
MW190.16 g/mol
LogP2.85
Rot. Bonds2

About 1-(methoxymethyl)-2-(trifluoromethyl)benzene

1-(methoxymethyl)-2-(trifluoromethyl)benzene (PubChem CID 21281621) has the molecular formula C9H9F3O and a molecular weight of 190.16 g/mol. Its IUPAC name is 1-(methoxymethyl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(methoxymethyl)-2-(trifluoromethyl)benzene
PubChem CID21281621
Molecular FormulaC9H9F3O
Molecular Weight190.16 g/mol
Exact Mass190.06
IUPAC Name1-(methoxymethyl)-2-(trifluoromethyl)benzene
SMILESCOCc1ccccc1C(F)(F)F
InChIInChI=1S/C9H9F3O/c1-13-6-7-4-2-3-5-8(7)9(10,11)12/h2-5H,6H2,1H3
InChIKeyCRUXDWLVMHPQCP-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(methoxymethyl)-2-(trifluoromethyl)benzene (CID 21281621) is 1-(methoxymethyl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(methoxymethyl)-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(methoxymethyl)-2-(trifluoromethyl)benzene is COCc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(methoxymethyl)-2-(trifluoromethyl)benzene?
The InChIKey is CRUXDWLVMHPQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O/c1-13-6-7-4-2-3-5-8(7)9(10,11)12/h2-5H,6H2,1H3.
What are the key properties of 1-(methoxymethyl)-2-(trifluoromethyl)benzene?
1-(methoxymethyl)-2-(trifluoromethyl)benzene has a molecular weight of 190.16 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 21281621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).