[1-[3-(trifluoromethyl)phenyl]cyclobutyl] formate

C12H11F3O2 — CID 57088784

IUPAC[1-[3-(trifluoromethyl)phenyl]cyclobutyl] formate
SMILESO=COC1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C12H11F3O2/c13-12(14,15)10-4-1-3-9(7-10)11(17-8-16)5-2-6-11/h1,3-4,7-8H,2,5-6H2
InChIKeyRHHDFZSKKFEMLW-UHFFFAOYSA-N
MW244.21 g/mol
LogP3.26
Rot. Bonds3

About [1-[3-(trifluoromethyl)phenyl]cyclobutyl] formate

[1-[3-(trifluoromethyl)phenyl]cyclobutyl] formate (PubChem CID 57088784) has the molecular formula C12H11F3O2 and a molecular weight of 244.21 g/mol. Its IUPAC name is [1-[3-(trifluoromethyl)phenyl]cyclobutyl] formate.

Molecular Properties

Compound Name[1-[3-(trifluoromethyl)phenyl]cyclobutyl] formate
PubChem CID57088784
Molecular FormulaC12H11F3O2
Molecular Weight244.21 g/mol
Exact Mass244.07
IUPAC Name[1-[3-(trifluoromethyl)phenyl]cyclobutyl] formate
SMILESO=COC1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C12H11F3O2/c13-12(14,15)10-4-1-3-9(7-10)11(17-8-16)5-2-6-11/h1,3-4,7-8H,2,5-6H2
InChIKeyRHHDFZSKKFEMLW-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(trifluoromethyl)phenyl]cyclobutyl] formate?
The IUPAC name of [1-[3-(trifluoromethyl)phenyl]cyclobutyl] formate (CID 57088784) is [1-[3-(trifluoromethyl)phenyl]cyclobutyl] formate.
What is the SMILES notation for [1-[3-(trifluoromethyl)phenyl]cyclobutyl] formate?
The canonical SMILES for [1-[3-(trifluoromethyl)phenyl]cyclobutyl] formate is O=COC1(c2cccc(C(F)(F)F)c2)CCC1.
What is the InChIKey of [1-[3-(trifluoromethyl)phenyl]cyclobutyl] formate?
The InChIKey is RHHDFZSKKFEMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O2/c13-12(14,15)10-4-1-3-9(7-10)11(17-8-16)5-2-6-11/h1,3-4,7-8H,2,5-6H2.
What are the key properties of [1-[3-(trifluoromethyl)phenyl]cyclobutyl] formate?
[1-[3-(trifluoromethyl)phenyl]cyclobutyl] formate has a molecular weight of 244.21 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(trifluoromethyl)phenyl]cyclobutyl] formate is sourced from PubChem (CID 57088784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).