1-methoxy-4-(trifluoromethyl)benzene

C8H7F3O — CID 600604

IUPAC1-methoxy-4-(trifluoromethyl)benzene
SMILESCOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H7F3O/c1-12-7-4-2-6(3-5-7)8(9,10)11/h2-5H,1H3
InChIKeyCFIPQRIPCRRISV-UHFFFAOYSA-N
MW176.14 g/mol
LogP2.71
Rot. Bonds1

About 1-methoxy-4-(trifluoromethyl)benzene

1-methoxy-4-(trifluoromethyl)benzene (PubChem CID 600604) has the molecular formula C8H7F3O and a molecular weight of 176.14 g/mol. Its IUPAC name is 1-methoxy-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(trifluoromethyl)benzene
PubChem CID600604
Molecular FormulaC8H7F3O
Molecular Weight176.14 g/mol
Exact Mass176.04
IUPAC Name1-methoxy-4-(trifluoromethyl)benzene
SMILESCOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H7F3O/c1-12-7-4-2-6(3-5-7)8(9,10)11/h2-5H,1H3
InChIKeyCFIPQRIPCRRISV-UHFFFAOYSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(trifluoromethyl)benzene?
The IUPAC name of 1-methoxy-4-(trifluoromethyl)benzene (CID 600604) is 1-methoxy-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-methoxy-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-methoxy-4-(trifluoromethyl)benzene is COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-methoxy-4-(trifluoromethyl)benzene?
The InChIKey is CFIPQRIPCRRISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O/c1-12-7-4-2-6(3-5-7)8(9,10)11/h2-5H,1H3.
What are the key properties of 1-methoxy-4-(trifluoromethyl)benzene?
1-methoxy-4-(trifluoromethyl)benzene has a molecular weight of 176.14 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(trifluoromethyl)benzene is sourced from PubChem (CID 600604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).