(3aS)-3-phenyl-3a-(trifluoromethyl)-3,4-dihydro-1H-cyclopenta[c]furan-5-one

C14H11F3O2 — CID 139250891

IUPAC(3aS)-3-phenyl-3a-(trifluoromethyl)-3,4-dihydro-1H-cyclopenta[c]furan-5-one
SMILESO=C1C=C2COC(c3ccccc3)[C@]2(C(F)(F)F)C1
InChIInChI=1S/C14H11F3O2/c15-14(16,17)13-7-11(18)6-10(13)8-19-12(13)9-4-2-1-3-5-9/h1-6,12H,7-8H2/t12?,13-/m0/s1
InChIKeyRGPQXFLAGGEVMM-ABLWVSNPSA-N
MW268.23 g/mol
LogP3.21
Rot. Bonds1

About (3aS)-3-phenyl-3a-(trifluoromethyl)-3,4-dihydro-1H-cyclopenta[c]furan-5-one

(3aS)-3-phenyl-3a-(trifluoromethyl)-3,4-dihydro-1H-cyclopenta[c]furan-5-one (PubChem CID 139250891) has the molecular formula C14H11F3O2 and a molecular weight of 268.23 g/mol. Its IUPAC name is (3aS)-3-phenyl-3a-(trifluoromethyl)-3,4-dihydro-1H-cyclopenta[c]furan-5-one.

Molecular Properties

Compound Name(3aS)-3-phenyl-3a-(trifluoromethyl)-3,4-dihydro-1H-cyclopenta[c]furan-5-one
PubChem CID139250891
Molecular FormulaC14H11F3O2
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name(3aS)-3-phenyl-3a-(trifluoromethyl)-3,4-dihydro-1H-cyclopenta[c]furan-5-one
SMILESO=C1C=C2COC(c3ccccc3)[C@]2(C(F)(F)F)C1
InChIInChI=1S/C14H11F3O2/c15-14(16,17)13-7-11(18)6-10(13)8-19-12(13)9-4-2-1-3-5-9/h1-6,12H,7-8H2/t12?,13-/m0/s1
InChIKeyRGPQXFLAGGEVMM-ABLWVSNPSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aS)-3-phenyl-3a-(trifluoromethyl)-3,4-dihydro-1H-cyclopenta[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

5-(4-Fluorophenyl)dihydro-3-methylene-2(3H)-furanone
CID 11106191
gamma-(4-Fluorophenyl)-gamma-butyrolactone
CID 103541
3-Methylidene-5-[3-(trifluoromethyl)phenyl]oxolan-2-one
CID 127052391
2-(4-Trifluoromethylphenyl)-7-oxabicyclo[3.3.0] oct-1-en-3-one
CID 11254166
(5S)-5-(4-fluorophenyl)oxolan-2-one
CID 7058070
5-(3-Fluorophenyl) dihydrofuran-2(3h)-one
CID 103689363
1H-Cyclopenta[c]furan-5(3H)-one, 3a,4-dihydro-6-phenyl-
CID 10262188
1-(2-Methyl-5-phenyl-4,5-dihydrofuran-3-yl)ethan-1-one
CID 13168909
5,5-Difluoro-4-(phenylmethoxymethyl)cyclopent-2-en-1-one
CID 12138114
5-[4-(Trifluoromethyl)phenyl]oxolan-2-one
CID 72765698
4-(4-Fluorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 86065264
(5S)-5-(2-fluorophenyl)oxolan-2-one
CID 124642839

Frequently Asked Questions

What is the IUPAC name of (3aS)-3-phenyl-3a-(trifluoromethyl)-3,4-dihydro-1H-cyclopenta[c]furan-5-one?
The IUPAC name of (3aS)-3-phenyl-3a-(trifluoromethyl)-3,4-dihydro-1H-cyclopenta[c]furan-5-one (CID 139250891) is (3aS)-3-phenyl-3a-(trifluoromethyl)-3,4-dihydro-1H-cyclopenta[c]furan-5-one.
What is the SMILES notation for (3aS)-3-phenyl-3a-(trifluoromethyl)-3,4-dihydro-1H-cyclopenta[c]furan-5-one?
The canonical SMILES for (3aS)-3-phenyl-3a-(trifluoromethyl)-3,4-dihydro-1H-cyclopenta[c]furan-5-one is O=C1C=C2COC(c3ccccc3)[C@]2(C(F)(F)F)C1.
What is the InChIKey of (3aS)-3-phenyl-3a-(trifluoromethyl)-3,4-dihydro-1H-cyclopenta[c]furan-5-one?
The InChIKey is RGPQXFLAGGEVMM-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H11F3O2/c15-14(16,17)13-7-11(18)6-10(13)8-19-12(13)9-4-2-1-3-5-9/h1-6,12H,7-8H2/t12?,13-/m0/s1.
What are the key properties of (3aS)-3-phenyl-3a-(trifluoromethyl)-3,4-dihydro-1H-cyclopenta[c]furan-5-one?
(3aS)-3-phenyl-3a-(trifluoromethyl)-3,4-dihydro-1H-cyclopenta[c]furan-5-one has a molecular weight of 268.23 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS)-3-phenyl-3a-(trifluoromethyl)-3,4-dihydro-1H-cyclopenta[c]furan-5-one is sourced from PubChem (CID 139250891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).