2-[3-(trifluoromethyl)phenyl]cyclobutan-1-one

C11H9F3O — CID 130118869

IUPAC2-[3-(trifluoromethyl)phenyl]cyclobutan-1-one
SMILESO=C1CCC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H9F3O/c12-11(13,14)8-3-1-2-7(6-8)9-4-5-10(9)15/h1-3,6,9H,4-5H2
InChIKeyKCUJBMYIALPDBV-UHFFFAOYSA-N
MW214.19 g/mol
LogP3.15
Rot. Bonds1

About 2-[3-(trifluoromethyl)phenyl]cyclobutan-1-one

2-[3-(trifluoromethyl)phenyl]cyclobutan-1-one (PubChem CID 130118869) has the molecular formula C11H9F3O and a molecular weight of 214.19 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]cyclobutan-1-one.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]cyclobutan-1-one
PubChem CID130118869
Molecular FormulaC11H9F3O
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name2-[3-(trifluoromethyl)phenyl]cyclobutan-1-one
SMILESO=C1CCC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H9F3O/c12-11(13,14)8-3-1-2-7(6-8)9-4-5-10(9)15/h1-3,6,9H,4-5H2
InChIKeyKCUJBMYIALPDBV-UHFFFAOYSA-N
XLogP3.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]cyclobutan-1-one?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]cyclobutan-1-one (CID 130118869) is 2-[3-(trifluoromethyl)phenyl]cyclobutan-1-one.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]cyclobutan-1-one?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]cyclobutan-1-one is O=C1CCC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]cyclobutan-1-one?
The InChIKey is KCUJBMYIALPDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3O/c12-11(13,14)8-3-1-2-7(6-8)9-4-5-10(9)15/h1-3,6,9H,4-5H2.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]cyclobutan-1-one?
2-[3-(trifluoromethyl)phenyl]cyclobutan-1-one has a molecular weight of 214.19 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]cyclobutan-1-one is sourced from PubChem (CID 130118869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).