1-methoxy-2-methyl-3,5-bis(trifluoromethyl)benzene

C10H8F6O — CID 74891112

IUPAC1-methoxy-2-methyl-3,5-bis(trifluoromethyl)benzene
SMILESCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1C
InChIInChI=1S/C10H8F6O/c1-5-7(10(14,15)16)3-6(9(11,12)13)4-8(5)17-2/h3-4H,1-2H3
InChIKeyFONITQGJROZTTK-UHFFFAOYSA-N
MW258.16 g/mol
LogP4.04
Rot. Bonds1

About 1-methoxy-2-methyl-3,5-bis(trifluoromethyl)benzene

1-methoxy-2-methyl-3,5-bis(trifluoromethyl)benzene (PubChem CID 74891112) has the molecular formula C10H8F6O and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-methoxy-2-methyl-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-methoxy-2-methyl-3,5-bis(trifluoromethyl)benzene
PubChem CID74891112
Molecular FormulaC10H8F6O
Molecular Weight258.16 g/mol
Exact Mass258.05
IUPAC Name1-methoxy-2-methyl-3,5-bis(trifluoromethyl)benzene
SMILESCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1C
InChIInChI=1S/C10H8F6O/c1-5-7(10(14,15)16)3-6(9(11,12)13)4-8(5)17-2/h3-4H,1-2H3
InChIKeyFONITQGJROZTTK-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methoxy-6-methyl-4-(trifluoromethyl)aniline
CID 131484039
(1S)-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171234263
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]borinic acid
CID 131697680
5-tert-butyl-1,3-dimethoxy-2-methylbenzene
CID 59572485
(1S)-3,3,3-trifluoro-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]propan-1-amine
CID 171234280
4-tert-butyl-2-methoxy-1-(trifluoromethyl)benzene
CID 70832667
1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene
CID 135743171
bis[2-methyl-3,5-bis(trifluoromethyl)phenyl]methanone
CID 139698506
1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone
CID 84803559
(S)-cyclopropyl-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171234289
(1S)-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]pentan-1-amine
CID 171234272
(1R)-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171214638

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of 1-methoxy-2-methyl-3,5-bis(trifluoromethyl)benzene (CID 74891112) is 1-methoxy-2-methyl-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-methoxy-2-methyl-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-methoxy-2-methyl-3,5-bis(trifluoromethyl)benzene is COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C.
What is the InChIKey of 1-methoxy-2-methyl-3,5-bis(trifluoromethyl)benzene?
The InChIKey is FONITQGJROZTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6O/c1-5-7(10(14,15)16)3-6(9(11,12)13)4-8(5)17-2/h3-4H,1-2H3.
What are the key properties of 1-methoxy-2-methyl-3,5-bis(trifluoromethyl)benzene?
1-methoxy-2-methyl-3,5-bis(trifluoromethyl)benzene has a molecular weight of 258.16 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 74891112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).