2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol

C15H19F3O2 — CID 66368731

IUPAC2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol
SMILESCCC1(CC)C(O)CC1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C15H19F3O2/c1-3-14(4-2)12(19)9-13(14)20-11-8-6-5-7-10(11)15(16,17)18/h5-8,12-13,19H,3-4,9H2,1-2H3
InChIKeyYZBVLDZBLVGEKS-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.02
Rot. Bonds4

About 2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol

2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol (PubChem CID 66368731) has the molecular formula C15H19F3O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol
PubChem CID66368731
Molecular FormulaC15H19F3O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol
SMILESCCC1(CC)C(O)CC1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C15H19F3O2/c1-3-14(4-2)12(19)9-13(14)20-11-8-6-5-7-10(11)15(16,17)18/h5-8,12-13,19H,3-4,9H2,1-2H3
InChIKeyYZBVLDZBLVGEKS-UHFFFAOYSA-N
XLogP4.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol?
The IUPAC name of 2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol (CID 66368731) is 2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol.
What is the SMILES notation for 2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol?
The canonical SMILES for 2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol is CCC1(CC)C(O)CC1Oc1ccccc1C(F)(F)F.
What is the InChIKey of 2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol?
The InChIKey is YZBVLDZBLVGEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O2/c1-3-14(4-2)12(19)9-13(14)20-11-8-6-5-7-10(11)15(16,17)18/h5-8,12-13,19H,3-4,9H2,1-2H3.
What are the key properties of 2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol?
2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol has a molecular weight of 288.31 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol is sourced from PubChem (CID 66368731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).