1-(2-ethoxycyclopenten-1-yl)-2,2,2-trifluoroethanone

C9H11F3O2 — CID 45081049

IUPAC1-(2-ethoxycyclopenten-1-yl)-2,2,2-trifluoroethanone
SMILESCCOC1=C(C(=O)C(F)(F)F)CCC1
InChIInChI=1S/C9H11F3O2/c1-2-14-7-5-3-4-6(7)8(13)9(10,11)12/h2-5H2,1H3
InChIKeySEDLDTJBYMFRIJ-UHFFFAOYSA-N
MW208.18 g/mol
LogP2.59
Rot. Bonds3

About 1-(2-ethoxycyclopenten-1-yl)-2,2,2-trifluoroethanone

1-(2-ethoxycyclopenten-1-yl)-2,2,2-trifluoroethanone (PubChem CID 45081049) has the molecular formula C9H11F3O2 and a molecular weight of 208.18 g/mol. Its IUPAC name is 1-(2-ethoxycyclopenten-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(2-ethoxycyclopenten-1-yl)-2,2,2-trifluoroethanone
PubChem CID45081049
Molecular FormulaC9H11F3O2
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Name1-(2-ethoxycyclopenten-1-yl)-2,2,2-trifluoroethanone
SMILESCCOC1=C(C(=O)C(F)(F)F)CCC1
InChIInChI=1S/C9H11F3O2/c1-2-14-7-5-3-4-6(7)8(13)9(10,11)12/h2-5H2,1H3
InChIKeySEDLDTJBYMFRIJ-UHFFFAOYSA-N
XLogP2.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-ethoxycyclopenten-1-yl)-2,2,2-trifluoroethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxycyclopenten-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(2-ethoxycyclopenten-1-yl)-2,2,2-trifluoroethanone (CID 45081049) is 1-(2-ethoxycyclopenten-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(2-ethoxycyclopenten-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(2-ethoxycyclopenten-1-yl)-2,2,2-trifluoroethanone is CCOC1=C(C(=O)C(F)(F)F)CCC1.
What is the InChIKey of 1-(2-ethoxycyclopenten-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is SEDLDTJBYMFRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O2/c1-2-14-7-5-3-4-6(7)8(13)9(10,11)12/h2-5H2,1H3.
What are the key properties of 1-(2-ethoxycyclopenten-1-yl)-2,2,2-trifluoroethanone?
1-(2-ethoxycyclopenten-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 208.18 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxycyclopenten-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 45081049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).