1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene

C11H13F3O — CID 176900068

IUPAC1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
SMILESCOc1cccc(C(C)(C)C(F)(F)F)c1
InChIInChI=1S/C11H13F3O/c1-10(2,11(12,13)14)8-5-4-6-9(7-8)15-3/h4-7H,1-3H3
InChIKeyCSRSXIAJODQITA-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.54
Rot. Bonds2

About 1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene

1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene (PubChem CID 176900068) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene.

Molecular Properties

Compound Name1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
PubChem CID176900068
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
SMILESCOc1cccc(C(C)(C)C(F)(F)F)c1
InChIInChI=1S/C11H13F3O/c1-10(2,11(12,13)14)8-5-4-6-9(7-8)15-3/h4-7H,1-3H3
InChIKeyCSRSXIAJODQITA-UHFFFAOYSA-N
XLogP3.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,1-difluoroethyl)-3-methoxybenzene
CID 116841600
(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methoxybenzene
CID 91442545
1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
3,3,3-trifluoro-2-(3-methoxyphenyl)-2-methylpropanenitrile
CID 139942467
1-(2-chloropropan-2-yl)-3-methoxybenzene
CID 67293562
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
1-(1,1-difluoro-2-methylpropyl)-3-methoxybenzene
CID 116841485
2,2-difluoro-2-(3-methoxyphenyl)acetaldehyde
CID 105441968
[1-amino-1-(3-methoxyphenyl)ethyl] thiohypofluorite
CID 150215237
1-(3-methoxyphenyl)-1-phenylethanol
CID 15680503
formaldehyde;2-(3-methoxyphenyl)propan-2-amine
CID 143998972

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene?
The IUPAC name of 1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene (CID 176900068) is 1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene.
What is the SMILES notation for 1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene?
The canonical SMILES for 1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene is COc1cccc(C(C)(C)C(F)(F)F)c1.
What is the InChIKey of 1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene?
The InChIKey is CSRSXIAJODQITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c1-10(2,11(12,13)14)8-5-4-6-9(7-8)15-3/h4-7H,1-3H3.
What are the key properties of 1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene?
1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene has a molecular weight of 218.22 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene is sourced from PubChem (CID 176900068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).