2-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol

C13H15F3O2 — CID 81415122

IUPAC2-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol
SMILESCC1C(O)CC1c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C13H15F3O2/c1-8-11(6-12(8)17)9-2-4-10(5-3-9)18-7-13(14,15)16/h2-5,8,11-12,17H,6-7H2,1H3
InChIKeyODECHWLJSNYGRY-UHFFFAOYSA-N
MW260.25 g/mol
LogP3.11
Rot. Bonds3

About 2-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol

2-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol (PubChem CID 81415122) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol
PubChem CID81415122
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name2-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol
SMILESCC1C(O)CC1c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C13H15F3O2/c1-8-11(6-12(8)17)9-2-4-10(5-3-9)18-7-13(14,15)16/h2-5,8,11-12,17H,6-7H2,1H3
InChIKeyODECHWLJSNYGRY-UHFFFAOYSA-N
XLogP3.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol?
The IUPAC name of 2-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol (CID 81415122) is 2-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol.
What is the SMILES notation for 2-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol?
The canonical SMILES for 2-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol is CC1C(O)CC1c1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 2-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol?
The InChIKey is ODECHWLJSNYGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O2/c1-8-11(6-12(8)17)9-2-4-10(5-3-9)18-7-13(14,15)16/h2-5,8,11-12,17H,6-7H2,1H3.
What are the key properties of 2-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol?
2-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol has a molecular weight of 260.25 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol is sourced from PubChem (CID 81415122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).