cyclohexen-1-yl 2,2,2-trifluoroacetate

C8H9F3O2 — CID 14140921

IUPACcyclohexen-1-yl 2,2,2-trifluoroacetate
SMILESO=C(OC1=CCCCC1)C(F)(F)F
InChIInChI=1S/C8H9F3O2/c9-8(10,11)7(12)13-6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyZMKFWMDTAMAVTF-UHFFFAOYSA-N
MW194.15 g/mol
LogP2.55
Rot. Bonds1

About cyclohexen-1-yl 2,2,2-trifluoroacetate

cyclohexen-1-yl 2,2,2-trifluoroacetate (PubChem CID 14140921) has the molecular formula C8H9F3O2 and a molecular weight of 194.15 g/mol. Its IUPAC name is cyclohexen-1-yl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Namecyclohexen-1-yl 2,2,2-trifluoroacetate
PubChem CID14140921
Molecular FormulaC8H9F3O2
Molecular Weight194.15 g/mol
Exact Mass194.06
IUPAC Namecyclohexen-1-yl 2,2,2-trifluoroacetate
SMILESO=C(OC1=CCCCC1)C(F)(F)F
InChIInChI=1S/C8H9F3O2/c9-8(10,11)7(12)13-6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyZMKFWMDTAMAVTF-UHFFFAOYSA-N
XLogP2.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cyclohexen-1-yl 2,2,2-trifluoroacetate 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 cyclohexen-1-yl 2,2,2-trifluoroacetate?
The IUPAC name of cyclohexen-1-yl 2,2,2-trifluoroacetate (CID 14140921) is cyclohexen-1-yl 2,2,2-trifluoroacetate.
What is the SMILES notation for cyclohexen-1-yl 2,2,2-trifluoroacetate?
The canonical SMILES for cyclohexen-1-yl 2,2,2-trifluoroacetate is O=C(OC1=CCCCC1)C(F)(F)F.
What is the InChIKey of cyclohexen-1-yl 2,2,2-trifluoroacetate?
The InChIKey is ZMKFWMDTAMAVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O2/c9-8(10,11)7(12)13-6-4-2-1-3-5-6/h4H,1-3,5H2.
What are the key properties of cyclohexen-1-yl 2,2,2-trifluoroacetate?
cyclohexen-1-yl 2,2,2-trifluoroacetate has a molecular weight of 194.15 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl 2,2,2-trifluoroacetate is sourced from PubChem (CID 14140921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).