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

C12H13F3O2 — CID 103564461

IUPAC3-methyl-1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol
SMILESCC1CC(O)(c2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C12H13F3O2/c1-8-6-11(16,7-8)9-4-2-3-5-10(9)17-12(13,14)15/h2-5,8,16H,6-7H2,1H3
InChIKeyYDGOSTKQWKKPIG-UHFFFAOYSA-N
MW246.23 g/mol
LogP3.20
Rot. Bonds2

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

3-methyl-1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol (PubChem CID 103564461) has the molecular formula C12H13F3O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 3-methyl-1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol
PubChem CID103564461
Molecular FormulaC12H13F3O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name3-methyl-1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol
SMILESCC1CC(O)(c2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C12H13F3O2/c1-8-6-11(16,7-8)9-4-2-3-5-10(9)17-12(13,14)15/h2-5,8,16H,6-7H2,1H3
InChIKeyYDGOSTKQWKKPIG-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol?
The IUPAC name of 3-methyl-1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol (CID 103564461) is 3-methyl-1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol.
What is the SMILES notation for 3-methyl-1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol?
The canonical SMILES for 3-methyl-1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol is CC1CC(O)(c2ccccc2OC(F)(F)F)C1.
What is the InChIKey of 3-methyl-1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol?
The InChIKey is YDGOSTKQWKKPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O2/c1-8-6-11(16,7-8)9-4-2-3-5-10(9)17-12(13,14)15/h2-5,8,16H,6-7H2,1H3.
What are the key properties of 3-methyl-1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol?
3-methyl-1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol has a molecular weight of 246.23 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol is sourced from PubChem (CID 103564461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).