(2S,3S,5R)-3-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane

C14H27FO3 — CID 159890249

IUPAC(2S,3S,5R)-3-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane
SMILESC[C@@H]1O[C@H](COC(C)(C)C)C(OC(C)(C)C)[C@H]1F
InChIInChI=1S/C14H27FO3/c1-9-11(15)12(18-14(5,6)7)10(17-9)8-16-13(2,3)4/h9-12H,8H2,1-7H3/t9-,10+,11-,12?/m0/s1
InChIKeyZFSNMQWPYVWHNB-PSIUFMSWSA-N
MW262.36 g/mol
LogP3.11
Rot. Bonds3

About (2S,3S,5R)-3-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane

(2S,3S,5R)-3-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane (PubChem CID 159890249) has the molecular formula C14H27FO3 and a molecular weight of 262.36 g/mol. Its IUPAC name is (2S,3S,5R)-3-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane.

Molecular Properties

Compound Name(2S,3S,5R)-3-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane
PubChem CID159890249
Molecular FormulaC14H27FO3
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name(2S,3S,5R)-3-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane
SMILESC[C@@H]1O[C@H](COC(C)(C)C)C(OC(C)(C)C)[C@H]1F
InChIInChI=1S/C14H27FO3/c1-9-11(15)12(18-14(5,6)7)10(17-9)8-16-13(2,3)4/h9-12H,8H2,1-7H3/t9-,10+,11-,12?/m0/s1
InChIKeyZFSNMQWPYVWHNB-PSIUFMSWSA-N
XLogP3.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-3-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane?
The IUPAC name of (2S,3S,5R)-3-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane (CID 159890249) is (2S,3S,5R)-3-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane.
What is the SMILES notation for (2S,3S,5R)-3-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane?
The canonical SMILES for (2S,3S,5R)-3-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane is C[C@@H]1O[C@H](COC(C)(C)C)C(OC(C)(C)C)[C@H]1F.
What is the InChIKey of (2S,3S,5R)-3-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane?
The InChIKey is ZFSNMQWPYVWHNB-PSIUFMSWSA-N. The full InChI is InChI=1S/C14H27FO3/c1-9-11(15)12(18-14(5,6)7)10(17-9)8-16-13(2,3)4/h9-12H,8H2,1-7H3/t9-,10+,11-,12?/m0/s1.
What are the key properties of (2S,3S,5R)-3-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane?
(2S,3S,5R)-3-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane has a molecular weight of 262.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-3-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane is sourced from PubChem (CID 159890249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).