1-methoxy-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene

C10H8F6O — CID 121297371

IUPAC1-methoxy-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene
SMILESCOc1cc(CC(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H8F6O/c1-17-8-3-6(5-9(11,12)13)2-7(4-8)10(14,15)16/h2-4H,5H2,1H3
InChIKeyRQMFDOJMTYRXHE-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.82
Rot. Bonds2

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

1-methoxy-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene (PubChem CID 121297371) has the molecular formula C10H8F6O and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-methoxy-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-methoxy-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene
PubChem CID121297371
Molecular FormulaC10H8F6O
Molecular Weight258.16 g/mol
Exact Mass258.05
IUPAC Name1-methoxy-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene
SMILESCOc1cc(CC(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H8F6O/c1-17-8-3-6(5-9(11,12)13)2-7(4-8)10(14,15)16/h2-4H,5H2,1H3
InChIKeyRQMFDOJMTYRXHE-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-3-methoxy-5-(trifluoromethyl)benzene
CID 123460618
1-[3-methoxy-5-(trifluoromethyl)phenyl]propan-2-amine
CID 117337696
1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene
CID 142829661
ethyl 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetate
CID 134633121
4-[[3-methoxy-5-(trifluoromethyl)phenyl]methyl]piperidin-1-ium chloride
CID 11392733
1-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)benzene
CID 166607829
1-tert-butyl-3-ethyl-5-methoxybenzene
CID 154541543
(3-tert-butyl-5-methoxyphenyl)methanol
CID 135139096
3-[[3-methoxy-5-(trifluoromethyl)phenyl]methyl]piperidine-2,6-dione
CID 158815109
1-(2-fluoropropan-2-yl)-3,5-dimethoxybenzene
CID 90993757
3-methoxy-5-(trifluoromethyl)benzenesulfonamide
CID 134627197
4-[3-methoxy-5-(trifluoromethyl)phenyl]but-3-enal
CID 170482691

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene?
The IUPAC name of 1-methoxy-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene (CID 121297371) is 1-methoxy-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-methoxy-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-methoxy-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene is COc1cc(CC(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-methoxy-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene?
The InChIKey is RQMFDOJMTYRXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6O/c1-17-8-3-6(5-9(11,12)13)2-7(4-8)10(14,15)16/h2-4H,5H2,1H3.
What are the key properties of 1-methoxy-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene?
1-methoxy-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene has a molecular weight of 258.16 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene is sourced from PubChem (CID 121297371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).