(2S,3S,4R,5R)-3-(2-fluoroethoxy)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane

C14H27FO4 — CID 58062016

IUPAC(2S,3S,4R,5R)-3-(2-fluoroethoxy)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane
SMILESCC(C)OC[C@H]1O[C@@H](C)[C@H](OCCF)[C@@H]1OC(C)C
InChIInChI=1S/C14H27FO4/c1-9(2)17-8-12-14(18-10(3)4)13(11(5)19-12)16-7-6-15/h9-14H,6-8H2,1-5H3/t11-,12+,13-,14+/m0/s1
InChIKeyXDBNYNTXLUFFAC-RFQIPJPRSA-N
MW278.36 g/mol
LogP2.35
Rot. Bonds8

About (2S,3S,4R,5R)-3-(2-fluoroethoxy)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane

(2S,3S,4R,5R)-3-(2-fluoroethoxy)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane (PubChem CID 58062016) has the molecular formula C14H27FO4 and a molecular weight of 278.36 g/mol. Its IUPAC name is (2S,3S,4R,5R)-3-(2-fluoroethoxy)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane.

Molecular Properties

Compound Name(2S,3S,4R,5R)-3-(2-fluoroethoxy)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane
PubChem CID58062016
Molecular FormulaC14H27FO4
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name(2S,3S,4R,5R)-3-(2-fluoroethoxy)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane
SMILESCC(C)OC[C@H]1O[C@@H](C)[C@H](OCCF)[C@@H]1OC(C)C
InChIInChI=1S/C14H27FO4/c1-9(2)17-8-12-14(18-10(3)4)13(11(5)19-12)16-7-6-15/h9-14H,6-8H2,1-5H3/t11-,12+,13-,14+/m0/s1
InChIKeyXDBNYNTXLUFFAC-RFQIPJPRSA-N
XLogP2.35
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-3-(2-fluoroethoxy)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane?
The IUPAC name of (2S,3S,4R,5R)-3-(2-fluoroethoxy)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane (CID 58062016) is (2S,3S,4R,5R)-3-(2-fluoroethoxy)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane.
What is the SMILES notation for (2S,3S,4R,5R)-3-(2-fluoroethoxy)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane?
The canonical SMILES for (2S,3S,4R,5R)-3-(2-fluoroethoxy)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane is CC(C)OC[C@H]1O[C@@H](C)[C@H](OCCF)[C@@H]1OC(C)C.
What is the InChIKey of (2S,3S,4R,5R)-3-(2-fluoroethoxy)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane?
The InChIKey is XDBNYNTXLUFFAC-RFQIPJPRSA-N. The full InChI is InChI=1S/C14H27FO4/c1-9(2)17-8-12-14(18-10(3)4)13(11(5)19-12)16-7-6-15/h9-14H,6-8H2,1-5H3/t11-,12+,13-,14+/m0/s1.
What are the key properties of (2S,3S,4R,5R)-3-(2-fluoroethoxy)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane?
(2S,3S,4R,5R)-3-(2-fluoroethoxy)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane has a molecular weight of 278.36 g/mol, XLogP of 2.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-3-(2-fluoroethoxy)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane is sourced from PubChem (CID 58062016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).