3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-one

C12H11F3O2 — CID 64521913

IUPAC3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-one
SMILESO=C1CCC(c2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C12H11F3O2/c13-12(14,15)17-11-4-2-1-3-10(11)8-5-6-9(16)7-8/h1-4,8H,5-7H2
InChIKeyQKNGVWWEIWDUNJ-UHFFFAOYSA-N
MW244.21 g/mol
LogP3.42
Rot. Bonds2

About 3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-one

3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-one (PubChem CID 64521913) has the molecular formula C12H11F3O2 and a molecular weight of 244.21 g/mol. Its IUPAC name is 3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-one
PubChem CID64521913
Molecular FormulaC12H11F3O2
Molecular Weight244.21 g/mol
Exact Mass244.07
IUPAC Name3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-one
SMILESO=C1CCC(c2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C12H11F3O2/c13-12(14,15)17-11-4-2-1-3-10(11)8-5-6-9(16)7-8/h1-4,8H,5-7H2
InChIKeyQKNGVWWEIWDUNJ-UHFFFAOYSA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-one?
The IUPAC name of 3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-one (CID 64521913) is 3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-one.
What is the SMILES notation for 3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-one?
The canonical SMILES for 3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-one is O=C1CCC(c2ccccc2OC(F)(F)F)C1.
What is the InChIKey of 3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-one?
The InChIKey is QKNGVWWEIWDUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O2/c13-12(14,15)17-11-4-2-1-3-10(11)8-5-6-9(16)7-8/h1-4,8H,5-7H2.
What are the key properties of 3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-one?
3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-one has a molecular weight of 244.21 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-one is sourced from PubChem (CID 64521913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).