3-[3-fluoro-5-(trifluoromethoxy)phenyl]cyclobutan-1-ol

C11H10F4O2 — CID 135124752

IUPAC3-[3-fluoro-5-(trifluoromethoxy)phenyl]cyclobutan-1-ol
SMILESOC1CC(c2cc(F)cc(OC(F)(F)F)c2)C1
InChIInChI=1S/C11H10F4O2/c12-8-1-6(7-2-9(16)3-7)4-10(5-8)17-11(13,14)15/h1,4-5,7,9,16H,2-3H2
InChIKeyFJGJOUQQUBNLQW-UHFFFAOYSA-N
MW250.19 g/mol
LogP2.96
Rot. Bonds2

About 3-[3-fluoro-5-(trifluoromethoxy)phenyl]cyclobutan-1-ol

3-[3-fluoro-5-(trifluoromethoxy)phenyl]cyclobutan-1-ol (PubChem CID 135124752) has the molecular formula C11H10F4O2 and a molecular weight of 250.19 g/mol. Its IUPAC name is 3-[3-fluoro-5-(trifluoromethoxy)phenyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[3-fluoro-5-(trifluoromethoxy)phenyl]cyclobutan-1-ol
PubChem CID135124752
Molecular FormulaC11H10F4O2
Molecular Weight250.19 g/mol
Exact Mass250.06
IUPAC Name3-[3-fluoro-5-(trifluoromethoxy)phenyl]cyclobutan-1-ol
SMILESOC1CC(c2cc(F)cc(OC(F)(F)F)c2)C1
InChIInChI=1S/C11H10F4O2/c12-8-1-6(7-2-9(16)3-7)4-10(5-8)17-11(13,14)15/h1,4-5,7,9,16H,2-3H2
InChIKeyFJGJOUQQUBNLQW-UHFFFAOYSA-N
XLogP2.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-(trifluoromethoxy)phenyl]cyclobutan-1-ol?
The IUPAC name of 3-[3-fluoro-5-(trifluoromethoxy)phenyl]cyclobutan-1-ol (CID 135124752) is 3-[3-fluoro-5-(trifluoromethoxy)phenyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[3-fluoro-5-(trifluoromethoxy)phenyl]cyclobutan-1-ol?
The canonical SMILES for 3-[3-fluoro-5-(trifluoromethoxy)phenyl]cyclobutan-1-ol is OC1CC(c2cc(F)cc(OC(F)(F)F)c2)C1.
What is the InChIKey of 3-[3-fluoro-5-(trifluoromethoxy)phenyl]cyclobutan-1-ol?
The InChIKey is FJGJOUQQUBNLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O2/c12-8-1-6(7-2-9(16)3-7)4-10(5-8)17-11(13,14)15/h1,4-5,7,9,16H,2-3H2.
What are the key properties of 3-[3-fluoro-5-(trifluoromethoxy)phenyl]cyclobutan-1-ol?
3-[3-fluoro-5-(trifluoromethoxy)phenyl]cyclobutan-1-ol has a molecular weight of 250.19 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-5-(trifluoromethoxy)phenyl]cyclobutan-1-ol is sourced from PubChem (CID 135124752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).