1-[3-(trifluoromethoxy)cyclopentyl]ethanone

C8H11F3O2 — CID 138517575

IUPAC1-[3-(trifluoromethoxy)cyclopentyl]ethanone
SMILESCC(=O)C1CCC(OC(F)(F)F)C1
InChIInChI=1S/C8H11F3O2/c1-5(12)6-2-3-7(4-6)13-8(9,10)11/h6-7H,2-4H2,1H3
InChIKeyYXCCXHKYIBGSBZ-UHFFFAOYSA-N
MW196.17 g/mol
LogP2.28
Rot. Bonds2

About 1-[3-(trifluoromethoxy)cyclopentyl]ethanone

1-[3-(trifluoromethoxy)cyclopentyl]ethanone (PubChem CID 138517575) has the molecular formula C8H11F3O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is 1-[3-(trifluoromethoxy)cyclopentyl]ethanone.

Molecular Properties

Compound Name1-[3-(trifluoromethoxy)cyclopentyl]ethanone
PubChem CID138517575
Molecular FormulaC8H11F3O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name1-[3-(trifluoromethoxy)cyclopentyl]ethanone
SMILESCC(=O)C1CCC(OC(F)(F)F)C1
InChIInChI=1S/C8H11F3O2/c1-5(12)6-2-3-7(4-6)13-8(9,10)11/h6-7H,2-4H2,1H3
InChIKeyYXCCXHKYIBGSBZ-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethoxy)cyclopentyl]ethanone?
The IUPAC name of 1-[3-(trifluoromethoxy)cyclopentyl]ethanone (CID 138517575) is 1-[3-(trifluoromethoxy)cyclopentyl]ethanone.
What is the SMILES notation for 1-[3-(trifluoromethoxy)cyclopentyl]ethanone?
The canonical SMILES for 1-[3-(trifluoromethoxy)cyclopentyl]ethanone is CC(=O)C1CCC(OC(F)(F)F)C1.
What is the InChIKey of 1-[3-(trifluoromethoxy)cyclopentyl]ethanone?
The InChIKey is YXCCXHKYIBGSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O2/c1-5(12)6-2-3-7(4-6)13-8(9,10)11/h6-7H,2-4H2,1H3.
What are the key properties of 1-[3-(trifluoromethoxy)cyclopentyl]ethanone?
1-[3-(trifluoromethoxy)cyclopentyl]ethanone has a molecular weight of 196.17 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethoxy)cyclopentyl]ethanone is sourced from PubChem (CID 138517575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).