1-[(3-fluoro-3,4-dimethyloxetan-2-yl)oxymethyl]-5,6-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one

C15H23FO4 — CID 123421424

IUPAC1-[(3-fluoro-3,4-dimethyloxetan-2-yl)oxymethyl]-5,6-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
SMILESCC1CC2C(=O)OC(COC3OC(C)C3(C)F)C2C1C
InChIInChI=1S/C15H23FO4/c1-7-5-10-12(8(7)2)11(20-13(10)17)6-18-14-15(4,16)9(3)19-14/h7-12,14H,5-6H2,1-4H3
InChIKeyLQFLYDZVASKURN-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.31
Rot. Bonds3

About 1-[(3-fluoro-3,4-dimethyloxetan-2-yl)oxymethyl]-5,6-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one

1-[(3-fluoro-3,4-dimethyloxetan-2-yl)oxymethyl]-5,6-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one (PubChem CID 123421424) has the molecular formula C15H23FO4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[(3-fluoro-3,4-dimethyloxetan-2-yl)oxymethyl]-5,6-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one.

Molecular Properties

Compound Name1-[(3-fluoro-3,4-dimethyloxetan-2-yl)oxymethyl]-5,6-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
PubChem CID123421424
Molecular FormulaC15H23FO4
Molecular Weight286.34 g/mol
Exact Mass286.16
IUPAC Name1-[(3-fluoro-3,4-dimethyloxetan-2-yl)oxymethyl]-5,6-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
SMILESCC1CC2C(=O)OC(COC3OC(C)C3(C)F)C2C1C
InChIInChI=1S/C15H23FO4/c1-7-5-10-12(8(7)2)11(20-13(10)17)6-18-14-15(4,16)9(3)19-14/h7-12,14H,5-6H2,1-4H3
InChIKeyLQFLYDZVASKURN-UHFFFAOYSA-N
XLogP2.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3-fluoro-3,4-dimethyloxetan-2-yl)oxymethyl]-5,6-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one with MolForge

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Launch Full Analysis

Related Compounds

1-[(2-Fluoro-2-methylbutoxy)methyl]-5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 91003024
(1R,3aS,5R,6aR)-5-(2-methoxyethoxymethoxy)-1-(3-methoxypropyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 10040592
methyl 2-[(3aR,5R,6R,6aR)-2,2-dimethyl-5-pentyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate
CID 16664772
(3aR,4S,5R)-4-(1,3-dioxolan-2-yl)-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 59909458
(5-Methyl-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl)methyl 2-methylpentanoate
CID 123679642
(5-Methyl-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl)methyl propanoate
CID 123813805
ethyl 2-[(1S,2S,3R)-2-(1,3-dioxolan-2-yl)-3-methylcyclopentyl]acetate
CID 10857650
ethyl 2-[(1R,2S,3R)-2-(1,3-dioxolan-2-yl)-3-methylcyclopentyl]acetate
CID 11085947
methyl (1R,2R,5S)-2-[(1S)-1-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclopentane-1-carboxylate
CID 11241969
methyl (1R,2R,5S)-2-[(1R)-1-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclopentane-1-carboxylate
CID 11333968
methyl 3-[(3aR,5R,6R,6aR)-6-(2-methoxy-2-oxoethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-methylpropanoate
CID 21771661

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-3,4-dimethyloxetan-2-yl)oxymethyl]-5,6-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The IUPAC name of 1-[(3-fluoro-3,4-dimethyloxetan-2-yl)oxymethyl]-5,6-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one (CID 123421424) is 1-[(3-fluoro-3,4-dimethyloxetan-2-yl)oxymethyl]-5,6-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one.
What is the SMILES notation for 1-[(3-fluoro-3,4-dimethyloxetan-2-yl)oxymethyl]-5,6-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The canonical SMILES for 1-[(3-fluoro-3,4-dimethyloxetan-2-yl)oxymethyl]-5,6-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one is CC1CC2C(=O)OC(COC3OC(C)C3(C)F)C2C1C.
What is the InChIKey of 1-[(3-fluoro-3,4-dimethyloxetan-2-yl)oxymethyl]-5,6-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The InChIKey is LQFLYDZVASKURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO4/c1-7-5-10-12(8(7)2)11(20-13(10)17)6-18-14-15(4,16)9(3)19-14/h7-12,14H,5-6H2,1-4H3.
What are the key properties of 1-[(3-fluoro-3,4-dimethyloxetan-2-yl)oxymethyl]-5,6-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
1-[(3-fluoro-3,4-dimethyloxetan-2-yl)oxymethyl]-5,6-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one has a molecular weight of 286.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-3,4-dimethyloxetan-2-yl)oxymethyl]-5,6-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one is sourced from PubChem (CID 123421424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).