oxolan-3-yl-[4-(trifluoromethyl)cyclohexyl]methanone

C12H17F3O2 — CID 105099768

IUPACoxolan-3-yl-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCC(C(F)(F)F)CC1)C1CCOC1
InChIInChI=1S/C12H17F3O2/c13-12(14,15)10-3-1-8(2-4-10)11(16)9-5-6-17-7-9/h8-10H,1-7H2
InChIKeyJMMHNJSZAMSBGG-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.96
Rot. Bonds2

About oxolan-3-yl-[4-(trifluoromethyl)cyclohexyl]methanone

oxolan-3-yl-[4-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 105099768) has the molecular formula C12H17F3O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is oxolan-3-yl-[4-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Nameoxolan-3-yl-[4-(trifluoromethyl)cyclohexyl]methanone
PubChem CID105099768
Molecular FormulaC12H17F3O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Nameoxolan-3-yl-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCC(C(F)(F)F)CC1)C1CCOC1
InChIInChI=1S/C12H17F3O2/c13-12(14,15)10-3-1-8(2-4-10)11(16)9-5-6-17-7-9/h8-10H,1-7H2
InChIKeyJMMHNJSZAMSBGG-UHFFFAOYSA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze oxolan-3-yl-[4-(trifluoromethyl)cyclohexyl]methanone 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 oxolan-3-yl-[4-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of oxolan-3-yl-[4-(trifluoromethyl)cyclohexyl]methanone (CID 105099768) is oxolan-3-yl-[4-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for oxolan-3-yl-[4-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for oxolan-3-yl-[4-(trifluoromethyl)cyclohexyl]methanone is O=C(C1CCC(C(F)(F)F)CC1)C1CCOC1.
What is the InChIKey of oxolan-3-yl-[4-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is JMMHNJSZAMSBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3O2/c13-12(14,15)10-3-1-8(2-4-10)11(16)9-5-6-17-7-9/h8-10H,1-7H2.
What are the key properties of oxolan-3-yl-[4-(trifluoromethyl)cyclohexyl]methanone?
oxolan-3-yl-[4-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 250.26 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-[4-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 105099768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).