5-fluoro-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol

C9H13FO4 — CID 171396593

IUPAC5-fluoro-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol
SMILESCC1(C)OC2C(CO)=C(F)C(O)C2O1
InChIInChI=1S/C9H13FO4/c1-9(2)13-7-4(3-11)5(10)6(12)8(7)14-9/h6-8,11-12H,3H2,1-2H3
InChIKeyXEVNFCPPAYRLBT-UHFFFAOYSA-N
MW204.20 g/mol
LogP0.10
Rot. Bonds1

About 5-fluoro-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol

5-fluoro-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol (PubChem CID 171396593) has the molecular formula C9H13FO4 and a molecular weight of 204.20 g/mol. Its IUPAC name is 5-fluoro-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol.

Molecular Properties

Compound Name5-fluoro-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol
PubChem CID171396593
Molecular FormulaC9H13FO4
Molecular Weight204.20 g/mol
Exact Mass204.08
IUPAC Name5-fluoro-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol
SMILESCC1(C)OC2C(CO)=C(F)C(O)C2O1
InChIInChI=1S/C9H13FO4/c1-9(2)13-7-4(3-11)5(10)6(12)8(7)14-9/h6-8,11-12H,3H2,1-2H3
InChIKeyXEVNFCPPAYRLBT-UHFFFAOYSA-N
XLogP0.10
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol with MolForge

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Related Compounds

(3aR,6R,6aS)-4-ethyl-5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol
CID 59753783
(2S,3R,4S)-2-[(1S)-1,2-dihydroxy-3-methylbut-2-enyl]-5-fluorooxolane-3,4-diol
CID 140533243
Diisopropylidenesorbofuranose
CID 129714282
[(3aS,7R,7aS)-4-fluoro-7-(methoxymethoxy)-3a,6,7,7a-tetrahydro-1,3-benzodioxol-5-yl]methanol
CID 10657315
2-[(3aR,6R,6aS)-5-fluoro-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethyl 2,2-dimethylpropanoate
CID 72548182
(3aS)-2,2-Dimethyl-6-(trifluoromethyl)-3aalpha,6aalpha-dihydro-4H-cyclopenta-1,3-dioxole-4beta-ol
CID 101377348
(3aR,6R)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol;yttrium
CID 58635891
(3aS,6S)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol;yttrium
CID 58635895
(3aR,6S)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol;yttrium
CID 58635905
(3aS,6R)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol;yttrium
CID 58635907
CID 58635911
CID 58635911
CID 58635913
CID 58635913

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol?
The IUPAC name of 5-fluoro-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol (CID 171396593) is 5-fluoro-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol.
What is the SMILES notation for 5-fluoro-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol?
The canonical SMILES for 5-fluoro-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol is CC1(C)OC2C(CO)=C(F)C(O)C2O1.
What is the InChIKey of 5-fluoro-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol?
The InChIKey is XEVNFCPPAYRLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO4/c1-9(2)13-7-4(3-11)5(10)6(12)8(7)14-9/h6-8,11-12H,3H2,1-2H3.
What are the key properties of 5-fluoro-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol?
5-fluoro-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol has a molecular weight of 204.20 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol is sourced from PubChem (CID 171396593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).