(1R,2S,3R,4R,5R)-2-fluoro-3,4-bis(methoxymethoxy)-6,8-dioxabicyclo[3.2.1]octane

C10H17FO6 — CID 167510830

IUPAC(1R,2S,3R,4R,5R)-2-fluoro-3,4-bis(methoxymethoxy)-6,8-dioxabicyclo[3.2.1]octane
SMILESCOCO[C@H]1[C@@H]2OC[C@@H](O2)[C@H](F)[C@@H]1OCOC
InChIInChI=1S/C10H17FO6/c1-12-4-15-8-7(11)6-3-14-10(17-6)9(8)16-5-13-2/h6-10H,3-5H2,1-2H3/t6-,7+,8+,9-,10-/m1/s1
InChIKeySKCGZQPKWOYZSM-SOYHJAILSA-N
MW252.24 g/mol
LogP0.06
Rot. Bonds6

About (1R,2S,3R,4R,5R)-2-fluoro-3,4-bis(methoxymethoxy)-6,8-dioxabicyclo[3.2.1]octane

(1R,2S,3R,4R,5R)-2-fluoro-3,4-bis(methoxymethoxy)-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 167510830) has the molecular formula C10H17FO6 and a molecular weight of 252.24 g/mol. Its IUPAC name is (1R,2S,3R,4R,5R)-2-fluoro-3,4-bis(methoxymethoxy)-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,2S,3R,4R,5R)-2-fluoro-3,4-bis(methoxymethoxy)-6,8-dioxabicyclo[3.2.1]octane
PubChem CID167510830
Molecular FormulaC10H17FO6
Molecular Weight252.24 g/mol
Exact Mass252.10
IUPAC Name(1R,2S,3R,4R,5R)-2-fluoro-3,4-bis(methoxymethoxy)-6,8-dioxabicyclo[3.2.1]octane
SMILESCOCO[C@H]1[C@@H]2OC[C@@H](O2)[C@H](F)[C@@H]1OCOC
InChIInChI=1S/C10H17FO6/c1-12-4-15-8-7(11)6-3-14-10(17-6)9(8)16-5-13-2/h6-10H,3-5H2,1-2H3/t6-,7+,8+,9-,10-/m1/s1
InChIKeySKCGZQPKWOYZSM-SOYHJAILSA-N
XLogP0.06
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4R,5R)-2-fluoro-3,4-bis(methoxymethoxy)-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of (1R,2S,3R,4R,5R)-2-fluoro-3,4-bis(methoxymethoxy)-6,8-dioxabicyclo[3.2.1]octane (CID 167510830) is (1R,2S,3R,4R,5R)-2-fluoro-3,4-bis(methoxymethoxy)-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,2S,3R,4R,5R)-2-fluoro-3,4-bis(methoxymethoxy)-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for (1R,2S,3R,4R,5R)-2-fluoro-3,4-bis(methoxymethoxy)-6,8-dioxabicyclo[3.2.1]octane is COCO[C@H]1[C@@H]2OC[C@@H](O2)[C@H](F)[C@@H]1OCOC.
What is the InChIKey of (1R,2S,3R,4R,5R)-2-fluoro-3,4-bis(methoxymethoxy)-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is SKCGZQPKWOYZSM-SOYHJAILSA-N. The full InChI is InChI=1S/C10H17FO6/c1-12-4-15-8-7(11)6-3-14-10(17-6)9(8)16-5-13-2/h6-10H,3-5H2,1-2H3/t6-,7+,8+,9-,10-/m1/s1.
What are the key properties of (1R,2S,3R,4R,5R)-2-fluoro-3,4-bis(methoxymethoxy)-6,8-dioxabicyclo[3.2.1]octane?
(1R,2S,3R,4R,5R)-2-fluoro-3,4-bis(methoxymethoxy)-6,8-dioxabicyclo[3.2.1]octane has a molecular weight of 252.24 g/mol, XLogP of 0.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4R,5R)-2-fluoro-3,4-bis(methoxymethoxy)-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 167510830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).