1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene

C10H11F3O2 — CID 70661162

IUPAC1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene
SMILESCOc1cccc(COCC(F)(F)F)c1
InChIInChI=1S/C10H11F3O2/c1-14-9-4-2-3-8(5-9)6-15-7-10(11,12)13/h2-5H,6-7H2,1H3
InChIKeyYMSPMXITAMMYDM-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.77
Rot. Bonds4

About 1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene

1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene (PubChem CID 70661162) has the molecular formula C10H11F3O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene.

Molecular Properties

Compound Name1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene
PubChem CID70661162
Molecular FormulaC10H11F3O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene
SMILESCOc1cccc(COCC(F)(F)F)c1
InChIInChI=1S/C10H11F3O2/c1-14-9-4-2-3-8(5-9)6-15-7-10(11,12)13/h2-5H,6-7H2,1H3
InChIKeyYMSPMXITAMMYDM-UHFFFAOYSA-N
XLogP2.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-methoxyphenyl)methoxymethyl]pentan-3-amine
CID 64571644
1-(3-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214941
1-(2,2-difluoroethoxymethyl)-3-methoxybenzene
CID 88878889
N-methyl-1-[3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
CID 62444453
2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
CID 71757143
2-[(3-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62530806
1-ethenyl-3-(2,2,2-trifluoroethoxymethyl)benzene
CID 86122980
1,1,1-trifluoro-3-(3-methoxyphenyl)propan-2-one
CID 24726859
4-[(3-methoxyphenyl)methoxymethyl]benzoic acid
CID 24689583
4-amino-1-[(3-methoxyphenyl)methoxy]-2-phenylbutan-2-ol
CID 11565688
1-methoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
CID 3067110
[1-[(3-methoxyphenyl)methoxy]-2-phenylpropan-2-yl]oxymethyl-trimethylstannane
CID 166450179

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene?
The IUPAC name of 1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene (CID 70661162) is 1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene.
What is the SMILES notation for 1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene?
The canonical SMILES for 1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene is COc1cccc(COCC(F)(F)F)c1.
What is the InChIKey of 1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene?
The InChIKey is YMSPMXITAMMYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O2/c1-14-9-4-2-3-8(5-9)6-15-7-10(11,12)13/h2-5H,6-7H2,1H3.
What are the key properties of 1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene?
1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene has a molecular weight of 220.19 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene is sourced from PubChem (CID 70661162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).