2-ethyl-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)cyclobutan-1-ol

C13H14F4O2 — CID 103290555

IUPAC2-ethyl-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)cyclobutan-1-ol
SMILESCCC1(C)C(O)CC1Oc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H14F4O2/c1-3-13(2)8(18)5-9(13)19-12-10(16)6(14)4-7(15)11(12)17/h4,8-9,18H,3,5H2,1-2H3
InChIKeyPFGLLVWYYZOFDN-UHFFFAOYSA-N
MW278.24 g/mol
LogP3.17
Rot. Bonds3

About 2-ethyl-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)cyclobutan-1-ol

2-ethyl-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)cyclobutan-1-ol (PubChem CID 103290555) has the molecular formula C13H14F4O2 and a molecular weight of 278.24 g/mol. Its IUPAC name is 2-ethyl-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)cyclobutan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)cyclobutan-1-ol
PubChem CID103290555
Molecular FormulaC13H14F4O2
Molecular Weight278.24 g/mol
Exact Mass278.09
IUPAC Name2-ethyl-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)cyclobutan-1-ol
SMILESCCC1(C)C(O)CC1Oc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H14F4O2/c1-3-13(2)8(18)5-9(13)19-12-10(16)6(14)4-7(15)11(12)17/h4,8-9,18H,3,5H2,1-2H3
InChIKeyPFGLLVWYYZOFDN-UHFFFAOYSA-N
XLogP3.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)cyclobutan-1-ol?
The IUPAC name of 2-ethyl-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)cyclobutan-1-ol (CID 103290555) is 2-ethyl-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)cyclobutan-1-ol.
What is the SMILES notation for 2-ethyl-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)cyclobutan-1-ol?
The canonical SMILES for 2-ethyl-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)cyclobutan-1-ol is CCC1(C)C(O)CC1Oc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2-ethyl-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)cyclobutan-1-ol?
The InChIKey is PFGLLVWYYZOFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4O2/c1-3-13(2)8(18)5-9(13)19-12-10(16)6(14)4-7(15)11(12)17/h4,8-9,18H,3,5H2,1-2H3.
What are the key properties of 2-ethyl-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)cyclobutan-1-ol?
2-ethyl-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)cyclobutan-1-ol has a molecular weight of 278.24 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)cyclobutan-1-ol is sourced from PubChem (CID 103290555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).