2,2,2-trifluoro-1-[(1Z)-2-methoxycyclododecen-1-yl]ethanone

C15H23F3O2 — CID 101463310

IUPAC2,2,2-trifluoro-1-[(1Z)-2-methoxycyclododecen-1-yl]ethanone
SMILESCO/C1=C(\C(=O)C(F)(F)F)CCCCCCCCCC1
InChIInChI=1S/C15H23F3O2/c1-20-13-11-9-7-5-3-2-4-6-8-10-12(13)14(19)15(16,17)18/h2-11H2,1H3/b13-12-
InChIKeyNIUALQCEULVKFO-SEYXRHQNSA-N
MW292.34 g/mol
LogP4.93
Rot. Bonds2

About 2,2,2-trifluoro-1-[(1Z)-2-methoxycyclododecen-1-yl]ethanone

2,2,2-trifluoro-1-[(1Z)-2-methoxycyclododecen-1-yl]ethanone (PubChem CID 101463310) has the molecular formula C15H23F3O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(1Z)-2-methoxycyclododecen-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(1Z)-2-methoxycyclododecen-1-yl]ethanone
PubChem CID101463310
Molecular FormulaC15H23F3O2
Molecular Weight292.34 g/mol
Exact Mass292.17
IUPAC Name2,2,2-trifluoro-1-[(1Z)-2-methoxycyclododecen-1-yl]ethanone
SMILESCO/C1=C(\C(=O)C(F)(F)F)CCCCCCCCCC1
InChIInChI=1S/C15H23F3O2/c1-20-13-11-9-7-5-3-2-4-6-8-10-12(13)14(19)15(16,17)18/h2-11H2,1H3/b13-12-
InChIKeyNIUALQCEULVKFO-SEYXRHQNSA-N
XLogP4.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-1-[(1Z)-2-methoxycyclododecen-1-yl]ethanone 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 2,2,2-trifluoro-1-[(1Z)-2-methoxycyclododecen-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[(1Z)-2-methoxycyclododecen-1-yl]ethanone (CID 101463310) is 2,2,2-trifluoro-1-[(1Z)-2-methoxycyclododecen-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[(1Z)-2-methoxycyclododecen-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[(1Z)-2-methoxycyclododecen-1-yl]ethanone is CO/C1=C(\C(=O)C(F)(F)F)CCCCCCCCCC1.
What is the InChIKey of 2,2,2-trifluoro-1-[(1Z)-2-methoxycyclododecen-1-yl]ethanone?
The InChIKey is NIUALQCEULVKFO-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H23F3O2/c1-20-13-11-9-7-5-3-2-4-6-8-10-12(13)14(19)15(16,17)18/h2-11H2,1H3/b13-12-.
What are the key properties of 2,2,2-trifluoro-1-[(1Z)-2-methoxycyclododecen-1-yl]ethanone?
2,2,2-trifluoro-1-[(1Z)-2-methoxycyclododecen-1-yl]ethanone has a molecular weight of 292.34 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[(1Z)-2-methoxycyclododecen-1-yl]ethanone is sourced from PubChem (CID 101463310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).