1-(3-methylcyclobutyl)oxy-4-(trifluoromethoxy)benzene

C12H13F3O2 — CID 167570136

IUPAC1-(3-methylcyclobutyl)oxy-4-(trifluoromethoxy)benzene
SMILESCC1CC(Oc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C12H13F3O2/c1-8-6-11(7-8)16-9-2-4-10(5-3-9)17-12(13,14)15/h2-5,8,11H,6-7H2,1H3
InChIKeyFUHFWEKKIDGLIC-UHFFFAOYSA-N
MW246.23 g/mol
LogP3.76
Rot. Bonds3

About 1-(3-methylcyclobutyl)oxy-4-(trifluoromethoxy)benzene

1-(3-methylcyclobutyl)oxy-4-(trifluoromethoxy)benzene (PubChem CID 167570136) has the molecular formula C12H13F3O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 1-(3-methylcyclobutyl)oxy-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-(3-methylcyclobutyl)oxy-4-(trifluoromethoxy)benzene
PubChem CID167570136
Molecular FormulaC12H13F3O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name1-(3-methylcyclobutyl)oxy-4-(trifluoromethoxy)benzene
SMILESCC1CC(Oc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C12H13F3O2/c1-8-6-11(7-8)16-9-2-4-10(5-3-9)17-12(13,14)15/h2-5,8,11H,6-7H2,1H3
InChIKeyFUHFWEKKIDGLIC-UHFFFAOYSA-N
XLogP3.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine;hydrochloride
CID 167609158
1-(3,5-dimethylcyclohexyl)oxy-4-iodobenzene
CID 64736506
4-(3-methylcyclobutyl)oxybenzoic acid
CID 156751955
(3,5-dimethylcyclohexyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 114975308
1-(chloromethyl)-4-(3,5-dimethylcyclohexyl)oxybenzene
CID 64737672
2-methyl-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 154531292
1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64737275
(1S)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64734743
1-fluoro-3-(3-methylcyclobutyl)oxybenzene
CID 142422559
(2S,4S)-1-phenyl-2-(trifluoromethoxymethyl)-4-[4-(trifluoromethoxy)phenoxy]pyrrolidine
CID 166644345
2-propoxy-3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine
CID 107943861
N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine
CID 64734740

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclobutyl)oxy-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-(3-methylcyclobutyl)oxy-4-(trifluoromethoxy)benzene (CID 167570136) is 1-(3-methylcyclobutyl)oxy-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-(3-methylcyclobutyl)oxy-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-(3-methylcyclobutyl)oxy-4-(trifluoromethoxy)benzene is CC1CC(Oc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of 1-(3-methylcyclobutyl)oxy-4-(trifluoromethoxy)benzene?
The InChIKey is FUHFWEKKIDGLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O2/c1-8-6-11(7-8)16-9-2-4-10(5-3-9)17-12(13,14)15/h2-5,8,11H,6-7H2,1H3.
What are the key properties of 1-(3-methylcyclobutyl)oxy-4-(trifluoromethoxy)benzene?
1-(3-methylcyclobutyl)oxy-4-(trifluoromethoxy)benzene has a molecular weight of 246.23 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclobutyl)oxy-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 167570136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).