4-[4-(trifluoromethyl)phenyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

C14H11F3O2 — CID 11254166

IUPAC4-[4-(trifluoromethyl)phenyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESO=C1CC2COCC2=C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11F3O2/c15-14(16,17)10-3-1-8(2-4-10)13-11-7-19-6-9(11)5-12(13)18/h1-4,9H,5-7H2
InChIKeyDIOOTYNBRRLNFC-UHFFFAOYSA-N
MW268.23 g/mol
LogP3.08
Rot. Bonds1

About 4-[4-(trifluoromethyl)phenyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

4-[4-(trifluoromethyl)phenyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (PubChem CID 11254166) has the molecular formula C14H11F3O2 and a molecular weight of 268.23 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
PubChem CID11254166
Molecular FormulaC14H11F3O2
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name4-[4-(trifluoromethyl)phenyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESO=C1CC2COCC2=C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11F3O2/c15-14(16,17)10-3-1-8(2-4-10)13-11-7-19-6-9(11)5-12(13)18/h1-4,9H,5-7H2
InChIKeyDIOOTYNBRRLNFC-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-(trifluoromethyl)phenyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one
CID 506535
2,2-Difluoro-3-(4-methylideneoxolan-3-yl)-1-phenylpropan-1-one
CID 10015070
1H-Cyclopenta[c]furan-5(3H)-one, 3a,4-dihydro-6-phenyl-
CID 10262188
2-(4-Methylphenyl)-7-oxabicyclo[3.3.0]oct-1-en-3-one
CID 102469155
4-(4-Fluorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 86065264
(3E,3aR,7aR)-7a-methyl-3-[[4-(trifluoromethyl)phenyl]methylidene]-3a,4-dihydro-1-benzofuran-5-one
CID 122393196
2-[3,5-Bis(trifluoromethyl)phenyl]-7-oxabicyclo [3.3.0]oct-1-en-3-one
CID 129822649
(3aS)-3-phenyl-3a-(trifluoromethyl)-3,4-dihydro-1H-cyclopenta[c]furan-5-one
CID 139250891
(5R)-5-(2-Methylallyl)-3-(4-(trifluoromethyl)phenyl)furan-2(5H)-one
CID 164513778
4-(2-Methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 135039284
(6aR)-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 10998028
3a-methyl-6-phenyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one
CID 11218159

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (CID 11254166) is 4-[4-(trifluoromethyl)phenyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is O=C1CC2COCC2=C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The InChIKey is DIOOTYNBRRLNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O2/c15-14(16,17)10-3-1-8(2-4-10)13-11-7-19-6-9(11)5-12(13)18/h1-4,9H,5-7H2.
What are the key properties of 4-[4-(trifluoromethyl)phenyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
4-[4-(trifluoromethyl)phenyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one has a molecular weight of 268.23 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is sourced from PubChem (CID 11254166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).