[1-(trifluoromethyl)cyclobutyl] propanoate

C8H11F3O2 — CID 174946696

IUPAC[1-(trifluoromethyl)cyclobutyl] propanoate
SMILESCCC(=O)OC1(C(F)(F)F)CCC1
InChIInChI=1S/C8H11F3O2/c1-2-6(12)13-7(4-3-5-7)8(9,10)11/h2-5H2,1H3
InChIKeyYRVPLENFGVYFPS-UHFFFAOYSA-N
MW196.17 g/mol
LogP2.42
Rot. Bonds2

About [1-(trifluoromethyl)cyclobutyl] propanoate

[1-(trifluoromethyl)cyclobutyl] propanoate (PubChem CID 174946696) has the molecular formula C8H11F3O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is [1-(trifluoromethyl)cyclobutyl] propanoate.

Molecular Properties

Compound Name[1-(trifluoromethyl)cyclobutyl] propanoate
PubChem CID174946696
Molecular FormulaC8H11F3O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name[1-(trifluoromethyl)cyclobutyl] propanoate
SMILESCCC(=O)OC1(C(F)(F)F)CCC1
InChIInChI=1S/C8H11F3O2/c1-2-6(12)13-7(4-3-5-7)8(9,10)11/h2-5H2,1H3
InChIKeyYRVPLENFGVYFPS-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(trifluoromethyl)cyclobutyl] propanoate?
The IUPAC name of [1-(trifluoromethyl)cyclobutyl] propanoate (CID 174946696) is [1-(trifluoromethyl)cyclobutyl] propanoate.
What is the SMILES notation for [1-(trifluoromethyl)cyclobutyl] propanoate?
The canonical SMILES for [1-(trifluoromethyl)cyclobutyl] propanoate is CCC(=O)OC1(C(F)(F)F)CCC1.
What is the InChIKey of [1-(trifluoromethyl)cyclobutyl] propanoate?
The InChIKey is YRVPLENFGVYFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O2/c1-2-6(12)13-7(4-3-5-7)8(9,10)11/h2-5H2,1H3.
What are the key properties of [1-(trifluoromethyl)cyclobutyl] propanoate?
[1-(trifluoromethyl)cyclobutyl] propanoate has a molecular weight of 196.17 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethyl)cyclobutyl] propanoate is sourced from PubChem (CID 174946696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).