1-methyl-4-(trifluoromethoxy)benzene

C8H7F3O — CID 2760631

IUPAC1-methyl-4-(trifluoromethoxy)benzene
SMILESCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H7F3O/c1-6-2-4-7(5-3-6)12-8(9,10)11/h2-5H,1H3
InChIKeyJUXFXYQUXNXVAA-UHFFFAOYSA-N
MW176.14 g/mol
LogP2.89
Rot. Bonds1

About 1-methyl-4-(trifluoromethoxy)benzene

1-methyl-4-(trifluoromethoxy)benzene (PubChem CID 2760631) has the molecular formula C8H7F3O and a molecular weight of 176.14 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethoxy)benzene
PubChem CID2760631
Molecular FormulaC8H7F3O
Molecular Weight176.14 g/mol
Exact Mass176.04
IUPAC Name1-methyl-4-(trifluoromethoxy)benzene
SMILESCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H7F3O/c1-6-2-4-7(5-3-6)12-8(9,10)11/h2-5H,1H3
InChIKeyJUXFXYQUXNXVAA-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Anethole
CID 637563
Estragole
CID 8815
5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione
CID 2194
4-Methylanisole
CID 7731
3-Methoxytoluene
CID 7530
cis-Anethole
CID 1549040
1-(4-Methoxyphenyl)-1-penten-3-one
CID 5803450
4-Propylanisole
CID 7702
2-Methylanisole
CID 33637
4-Methoxybiphenyl
CID 11943
2,4-Dimethylanisole
CID 81221
4-Methoxystyrene
CID 12507

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-methyl-4-(trifluoromethoxy)benzene (CID 2760631) is 1-methyl-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-methyl-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-methyl-4-(trifluoromethoxy)benzene is Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-methyl-4-(trifluoromethoxy)benzene?
The InChIKey is JUXFXYQUXNXVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O/c1-6-2-4-7(5-3-6)12-8(9,10)11/h2-5H,1H3.
What are the key properties of 1-methyl-4-(trifluoromethoxy)benzene?
1-methyl-4-(trifluoromethoxy)benzene has a molecular weight of 176.14 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 2760631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).