2-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol

C12H13F3O2 — CID 81416661

IUPAC2-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
SMILESCC1C(O)CC1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H13F3O2/c1-7-10(6-11(7)16)8-3-2-4-9(5-8)17-12(13,14)15/h2-5,7,10-11,16H,6H2,1H3
InChIKeyVSZHEBGIOASUAQ-UHFFFAOYSA-N
MW246.23 g/mol
LogP3.07
Rot. Bonds2

About 2-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol

2-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol (PubChem CID 81416661) has the molecular formula C12H13F3O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
PubChem CID81416661
Molecular FormulaC12H13F3O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name2-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
SMILESCC1C(O)CC1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H13F3O2/c1-7-10(6-11(7)16)8-3-2-4-9(5-8)17-12(13,14)15/h2-5,7,10-11,16H,6H2,1H3
InChIKeyVSZHEBGIOASUAQ-UHFFFAOYSA-N
XLogP3.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 91657247
2-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol
CID 81415478
2,2-diethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 81415026
4,4,5,5-tetramethyl-2-[(1S)-2-[3-(trifluoromethoxy)phenyl]cyclopropyl]-1,3,2-dioxaborolane
CID 176660363
5-methyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine
CID 107105145
bis[3-(trifluoromethoxy)phenyl]iodanium
CID 175669102
2-[3-(trifluoromethoxy)phenyl]adamantane
CID 91149986
N-[[2-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]propan-1-amine
CID 107105216
2,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine
CID 81415060
N,2,2-trimethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine
CID 81417291
[2-[3-(trifluoromethoxy)phenyl]cycloheptyl]methanamine
CID 81010948
(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 153367461

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol?
The IUPAC name of 2-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol (CID 81416661) is 2-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol.
What is the SMILES notation for 2-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol?
The canonical SMILES for 2-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol is CC1C(O)CC1c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol?
The InChIKey is VSZHEBGIOASUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O2/c1-7-10(6-11(7)16)8-3-2-4-9(5-8)17-12(13,14)15/h2-5,7,10-11,16H,6H2,1H3.
What are the key properties of 2-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol?
2-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol has a molecular weight of 246.23 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol is sourced from PubChem (CID 81416661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).