1-O-(1-ethylcyclopentyl) 4-O-fluoro 2,2,3-trifluorobutanedioate

C11H14F4O4 — CID 174588984

IUPAC1-O-(1-ethylcyclopentyl) 4-O-fluoro 2,2,3-trifluorobutanedioate
SMILESCCC1(OC(=O)C(F)(F)C(F)C(=O)OF)CCCC1
InChIInChI=1S/C11H14F4O4/c1-2-10(5-3-4-6-10)18-9(17)11(13,14)7(12)8(16)19-15/h7H,2-6H2,1H3
InChIKeyBJPLUVDXCSYRKK-UHFFFAOYSA-N
MW286.22 g/mol
LogP2.65
Rot. Bonds5

About 1-O-(1-ethylcyclopentyl) 4-O-fluoro 2,2,3-trifluorobutanedioate

1-O-(1-ethylcyclopentyl) 4-O-fluoro 2,2,3-trifluorobutanedioate (PubChem CID 174588984) has the molecular formula C11H14F4O4 and a molecular weight of 286.22 g/mol. Its IUPAC name is 1-O-(1-ethylcyclopentyl) 4-O-fluoro 2,2,3-trifluorobutanedioate.

Molecular Properties

Compound Name1-O-(1-ethylcyclopentyl) 4-O-fluoro 2,2,3-trifluorobutanedioate
PubChem CID174588984
Molecular FormulaC11H14F4O4
Molecular Weight286.22 g/mol
Exact Mass286.08
IUPAC Name1-O-(1-ethylcyclopentyl) 4-O-fluoro 2,2,3-trifluorobutanedioate
SMILESCCC1(OC(=O)C(F)(F)C(F)C(=O)OF)CCCC1
InChIInChI=1S/C11H14F4O4/c1-2-10(5-3-4-6-10)18-9(17)11(13,14)7(12)8(16)19-15/h7H,2-6H2,1H3
InChIKeyBJPLUVDXCSYRKK-UHFFFAOYSA-N
XLogP2.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-O-(1-ethylcyclopentyl) 4-O-fluoro 2,2,3-trifluorobutanedioate 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-O-(1-ethylcyclopentyl) 4-O-fluoro 2,2,3-trifluorobutanedioate?
The IUPAC name of 1-O-(1-ethylcyclopentyl) 4-O-fluoro 2,2,3-trifluorobutanedioate (CID 174588984) is 1-O-(1-ethylcyclopentyl) 4-O-fluoro 2,2,3-trifluorobutanedioate.
What is the SMILES notation for 1-O-(1-ethylcyclopentyl) 4-O-fluoro 2,2,3-trifluorobutanedioate?
The canonical SMILES for 1-O-(1-ethylcyclopentyl) 4-O-fluoro 2,2,3-trifluorobutanedioate is CCC1(OC(=O)C(F)(F)C(F)C(=O)OF)CCCC1.
What is the InChIKey of 1-O-(1-ethylcyclopentyl) 4-O-fluoro 2,2,3-trifluorobutanedioate?
The InChIKey is BJPLUVDXCSYRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4O4/c1-2-10(5-3-4-6-10)18-9(17)11(13,14)7(12)8(16)19-15/h7H,2-6H2,1H3.
What are the key properties of 1-O-(1-ethylcyclopentyl) 4-O-fluoro 2,2,3-trifluorobutanedioate?
1-O-(1-ethylcyclopentyl) 4-O-fluoro 2,2,3-trifluorobutanedioate has a molecular weight of 286.22 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(1-ethylcyclopentyl) 4-O-fluoro 2,2,3-trifluorobutanedioate is sourced from PubChem (CID 174588984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).