(2S,3R,4S,5S)-4-fluoro-2-methoxy-3,5-dimethyloxane

C8H15FO2 — CID 58060708

IUPAC(2S,3R,4S,5S)-4-fluoro-2-methoxy-3,5-dimethyloxane
SMILESCO[C@H]1OC[C@H](C)[C@H](F)[C@@H]1C
InChIInChI=1S/C8H15FO2/c1-5-4-11-8(10-3)6(2)7(5)9/h5-8H,4H2,1-3H3/t5-,6-,7-,8-/m0/s1
InChIKeyQZLFAVZRCJMTTI-XAMCCFCMSA-N
MW162.20 g/mol
LogP1.60
Rot. Bonds1

About (2S,3R,4S,5S)-4-fluoro-2-methoxy-3,5-dimethyloxane

(2S,3R,4S,5S)-4-fluoro-2-methoxy-3,5-dimethyloxane (PubChem CID 58060708) has the molecular formula C8H15FO2 and a molecular weight of 162.20 g/mol. Its IUPAC name is (2S,3R,4S,5S)-4-fluoro-2-methoxy-3,5-dimethyloxane.

Molecular Properties

Compound Name(2S,3R,4S,5S)-4-fluoro-2-methoxy-3,5-dimethyloxane
PubChem CID58060708
Molecular FormulaC8H15FO2
Molecular Weight162.20 g/mol
Exact Mass162.11
IUPAC Name(2S,3R,4S,5S)-4-fluoro-2-methoxy-3,5-dimethyloxane
SMILESCO[C@H]1OC[C@H](C)[C@H](F)[C@@H]1C
InChIInChI=1S/C8H15FO2/c1-5-4-11-8(10-3)6(2)7(5)9/h5-8H,4H2,1-3H3/t5-,6-,7-,8-/m0/s1
InChIKeyQZLFAVZRCJMTTI-XAMCCFCMSA-N
XLogP1.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S)-4-fluoro-2-methoxy-3,5-dimethyloxane?
The IUPAC name of (2S,3R,4S,5S)-4-fluoro-2-methoxy-3,5-dimethyloxane (CID 58060708) is (2S,3R,4S,5S)-4-fluoro-2-methoxy-3,5-dimethyloxane.
What is the SMILES notation for (2S,3R,4S,5S)-4-fluoro-2-methoxy-3,5-dimethyloxane?
The canonical SMILES for (2S,3R,4S,5S)-4-fluoro-2-methoxy-3,5-dimethyloxane is CO[C@H]1OC[C@H](C)[C@H](F)[C@@H]1C.
What is the InChIKey of (2S,3R,4S,5S)-4-fluoro-2-methoxy-3,5-dimethyloxane?
The InChIKey is QZLFAVZRCJMTTI-XAMCCFCMSA-N. The full InChI is InChI=1S/C8H15FO2/c1-5-4-11-8(10-3)6(2)7(5)9/h5-8H,4H2,1-3H3/t5-,6-,7-,8-/m0/s1.
What are the key properties of (2S,3R,4S,5S)-4-fluoro-2-methoxy-3,5-dimethyloxane?
(2S,3R,4S,5S)-4-fluoro-2-methoxy-3,5-dimethyloxane has a molecular weight of 162.20 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-4-fluoro-2-methoxy-3,5-dimethyloxane is sourced from PubChem (CID 58060708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).