(5R,6R)-5-fluoro-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one

C13H21FO4 — CID 146169075

IUPAC(5R,6R)-5-fluoro-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
SMILESCC(C)(C)OC[C@@H]1C2OC(C)(C)OC2C(=O)[C@@H]1F
InChIInChI=1S/C13H21FO4/c1-12(2,3)16-6-7-8(14)9(15)11-10(7)17-13(4,5)18-11/h7-8,10-11H,6H2,1-5H3/t7-,8+,10?,11?/m0/s1
InChIKeyILRIQAFDAPFJIC-IIPFWGKHSA-N
MW260.30 g/mol
LogP1.86
Rot. Bonds2

About (5R,6R)-5-fluoro-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one

(5R,6R)-5-fluoro-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one (PubChem CID 146169075) has the molecular formula C13H21FO4 and a molecular weight of 260.30 g/mol. Its IUPAC name is (5R,6R)-5-fluoro-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one.

Molecular Properties

Compound Name(5R,6R)-5-fluoro-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
PubChem CID146169075
Molecular FormulaC13H21FO4
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name(5R,6R)-5-fluoro-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
SMILESCC(C)(C)OC[C@@H]1C2OC(C)(C)OC2C(=O)[C@@H]1F
InChIInChI=1S/C13H21FO4/c1-12(2,3)16-6-7-8(14)9(15)11-10(7)17-13(4,5)18-11/h7-8,10-11H,6H2,1-5H3/t7-,8+,10?,11?/m0/s1
InChIKeyILRIQAFDAPFJIC-IIPFWGKHSA-N
XLogP1.86
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R,6R)-5-fluoro-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one with MolForge

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Related Compounds

(3aR,6R,6aR)-6-(tert-Butoxymethyl)-2,2-dimethyldihydro-3aH-cyclopenta[d][1,3]dioxol-4(5H)-one
CID 15409249
(3aS)-4-ethyl-5-fluoro-4-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-one
CID 124196158
(3aS,6aR)-4-ethyl-5-fluoro-4-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-one
CID 134195799
(3aS,4R,6aR)-4-hydroxy-2,2-dimethyl-4-(trifluoromethyl)-5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-one
CID 101377346
6-(Tert-butyl-dimethyl-silanyloxymethyl)-2,2-dimethyl-tetrahydro-cyclopenta[1,3]dioxol-4-one
CID 124708215
(3aR,6R,6aR)-6-(((tert-Butyldimethylsilyl)oxy)methyl)-2,2-dimethyldihydro-3aH-cyclopenta[d][1,3]dioxol-4(5H)-one
CID 10402568
(3aR,6R,6aR)-6-(Hydroxymethyl)-2,2-dimethyldihydro-3aH-cyclopenta[d][1,3]dioxol-4(5H)-one
CID 11084565
2,2,6-Trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
CID 14860121
(3aR,6S,6aR)-6-methylspiro[3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-4-one
CID 15748469
6-Methoxy-2,2,5-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
CID 18341665
(3aR,6S,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
CID 58329265
(6R,6aS)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
CID 58492837

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5-fluoro-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one?
The IUPAC name of (5R,6R)-5-fluoro-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one (CID 146169075) is (5R,6R)-5-fluoro-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one.
What is the SMILES notation for (5R,6R)-5-fluoro-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one?
The canonical SMILES for (5R,6R)-5-fluoro-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one is CC(C)(C)OC[C@@H]1C2OC(C)(C)OC2C(=O)[C@@H]1F.
What is the InChIKey of (5R,6R)-5-fluoro-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one?
The InChIKey is ILRIQAFDAPFJIC-IIPFWGKHSA-N. The full InChI is InChI=1S/C13H21FO4/c1-12(2,3)16-6-7-8(14)9(15)11-10(7)17-13(4,5)18-11/h7-8,10-11H,6H2,1-5H3/t7-,8+,10?,11?/m0/s1.
What are the key properties of (5R,6R)-5-fluoro-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one?
(5R,6R)-5-fluoro-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one has a molecular weight of 260.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-fluoro-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one is sourced from PubChem (CID 146169075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).