5,5-difluoro-3a-methyl-2-phenyl-6,6a-dihydro-4H-cyclopenta[d][1,3]dioxole

C13H14F2O2 — CID 174234341

IUPAC5,5-difluoro-3a-methyl-2-phenyl-6,6a-dihydro-4H-cyclopenta[d][1,3]dioxole
SMILESCC12CC(F)(F)CC1OC(c1ccccc1)O2
InChIInChI=1S/C13H14F2O2/c1-12-8-13(14,15)7-10(12)16-11(17-12)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3
InChIKeyLHJHYPRPLWYXSL-UHFFFAOYSA-N
MW240.25 g/mol
LogP3.29
Rot. Bonds1

About 5,5-difluoro-3a-methyl-2-phenyl-6,6a-dihydro-4H-cyclopenta[d][1,3]dioxole

5,5-difluoro-3a-methyl-2-phenyl-6,6a-dihydro-4H-cyclopenta[d][1,3]dioxole (PubChem CID 174234341) has the molecular formula C13H14F2O2 and a molecular weight of 240.25 g/mol. Its IUPAC name is 5,5-difluoro-3a-methyl-2-phenyl-6,6a-dihydro-4H-cyclopenta[d][1,3]dioxole.

Molecular Properties

Compound Name5,5-difluoro-3a-methyl-2-phenyl-6,6a-dihydro-4H-cyclopenta[d][1,3]dioxole
PubChem CID174234341
Molecular FormulaC13H14F2O2
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name5,5-difluoro-3a-methyl-2-phenyl-6,6a-dihydro-4H-cyclopenta[d][1,3]dioxole
SMILESCC12CC(F)(F)CC1OC(c1ccccc1)O2
InChIInChI=1S/C13H14F2O2/c1-12-8-13(14,15)7-10(12)16-11(17-12)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3
InChIKeyLHJHYPRPLWYXSL-UHFFFAOYSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,5-difluoro-3a-methyl-2-phenyl-6,6a-dihydro-4H-cyclopenta[d][1,3]dioxole with MolForge

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Related Compounds

(3aR)-5,5-difluoro-2-phenyl-3a,4,6,6a-tetrahydrocyclopenta[d][1,3]dioxole
CID 146554518
[(4R)-5,5-bis(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 121016088
(4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane
CID 68508640
(1S,3R,6R,8S,10R,12S,13R)-12-ethenyl-1,3,12-trimethyl-6-phenyl-2,5,7,11-tetraoxatricyclo[8.4.0.03,8]tetradecan-13-ol
CID 11222143
2-phenyl-4-propan-2-yl-1,3-dioxetane
CID 67555130
(2R,5S)-6a-ethyl-3a-methyl-2,5-diphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan
CID 23238355
(2R,5R)-6a-ethyl-3a-methyl-2,5-diphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan
CID 23238356
2-methyl-2-[(2-methyl-3-phenyloxiran-2-yl)methoxymethyl]-3-phenyloxirane
CID 139617656
7,7,9,9-tetramethyl-2-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
CID 57138383
(2S,4R,5S)-4-(hydroxymethyl)-5-methyl-2-phenyl-1,3-dioxan-5-ol
CID 11736231
[(2R)-2-bromo-2-methylcyclopropyl]benzene
CID 166445339
[(1R,2S)-1-methyl-2-phenylcyclopropyl]methanol
CID 10607081

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-3a-methyl-2-phenyl-6,6a-dihydro-4H-cyclopenta[d][1,3]dioxole?
The IUPAC name of 5,5-difluoro-3a-methyl-2-phenyl-6,6a-dihydro-4H-cyclopenta[d][1,3]dioxole (CID 174234341) is 5,5-difluoro-3a-methyl-2-phenyl-6,6a-dihydro-4H-cyclopenta[d][1,3]dioxole.
What is the SMILES notation for 5,5-difluoro-3a-methyl-2-phenyl-6,6a-dihydro-4H-cyclopenta[d][1,3]dioxole?
The canonical SMILES for 5,5-difluoro-3a-methyl-2-phenyl-6,6a-dihydro-4H-cyclopenta[d][1,3]dioxole is CC12CC(F)(F)CC1OC(c1ccccc1)O2.
What is the InChIKey of 5,5-difluoro-3a-methyl-2-phenyl-6,6a-dihydro-4H-cyclopenta[d][1,3]dioxole?
The InChIKey is LHJHYPRPLWYXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O2/c1-12-8-13(14,15)7-10(12)16-11(17-12)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3.
What are the key properties of 5,5-difluoro-3a-methyl-2-phenyl-6,6a-dihydro-4H-cyclopenta[d][1,3]dioxole?
5,5-difluoro-3a-methyl-2-phenyl-6,6a-dihydro-4H-cyclopenta[d][1,3]dioxole has a molecular weight of 240.25 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-3a-methyl-2-phenyl-6,6a-dihydro-4H-cyclopenta[d][1,3]dioxole is sourced from PubChem (CID 174234341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).