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

C13H15F3O2 — CID 81415007

IUPAC2,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol
SMILESCC1(C)C(O)CC1c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H15F3O2/c1-12(2)9(7-11(12)17)8-5-3-4-6-10(8)18-13(14,15)16/h3-6,9,11,17H,7H2,1-2H3
InChIKeyGSKFDPNGIPUPFM-UHFFFAOYSA-N
MW260.25 g/mol
LogP3.46
Rot. Bonds2

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

2,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol (PubChem CID 81415007) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol
PubChem CID81415007
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name2,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol
SMILESCC1(C)C(O)CC1c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H15F3O2/c1-12(2)9(7-11(12)17)8-5-3-4-6-10(8)18-13(14,15)16/h3-6,9,11,17H,7H2,1-2H3
InChIKeyGSKFDPNGIPUPFM-UHFFFAOYSA-N
XLogP3.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol (CID 81415007) is 2,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol is CC1(C)C(O)CC1c1ccccc1OC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol?
The InChIKey is GSKFDPNGIPUPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O2/c1-12(2)9(7-11(12)17)8-5-3-4-6-10(8)18-13(14,15)16/h3-6,9,11,17H,7H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol?
2,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol has a molecular weight of 260.25 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol is sourced from PubChem (CID 81415007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).