(2R,3R,4R,5R,6S)-2,5-diethyl-3-fluoro-6-methoxy-4-methyloxane

C11H21FO2 — CID 58349951

IUPAC(2R,3R,4R,5R,6S)-2,5-diethyl-3-fluoro-6-methoxy-4-methyloxane
SMILESCC[C@H]1[C@@H](OC)O[C@H](CC)[C@H](F)[C@@H]1C
InChIInChI=1S/C11H21FO2/c1-5-8-7(3)10(12)9(6-2)14-11(8)13-4/h7-11H,5-6H2,1-4H3/t7-,8-,9-,10-,11+/m1/s1
InChIKeyCZLCDSGBYRSHJP-ILAIQSSSSA-N
MW204.28 g/mol
LogP2.77
Rot. Bonds3

About (2R,3R,4R,5R,6S)-2,5-diethyl-3-fluoro-6-methoxy-4-methyloxane

(2R,3R,4R,5R,6S)-2,5-diethyl-3-fluoro-6-methoxy-4-methyloxane (PubChem CID 58349951) has the molecular formula C11H21FO2 and a molecular weight of 204.28 g/mol. Its IUPAC name is (2R,3R,4R,5R,6S)-2,5-diethyl-3-fluoro-6-methoxy-4-methyloxane.

Molecular Properties

Compound Name(2R,3R,4R,5R,6S)-2,5-diethyl-3-fluoro-6-methoxy-4-methyloxane
PubChem CID58349951
Molecular FormulaC11H21FO2
Molecular Weight204.28 g/mol
Exact Mass204.15
IUPAC Name(2R,3R,4R,5R,6S)-2,5-diethyl-3-fluoro-6-methoxy-4-methyloxane
SMILESCC[C@H]1[C@@H](OC)O[C@H](CC)[C@H](F)[C@@H]1C
InChIInChI=1S/C11H21FO2/c1-5-8-7(3)10(12)9(6-2)14-11(8)13-4/h7-11H,5-6H2,1-4H3/t7-,8-,9-,10-,11+/m1/s1
InChIKeyCZLCDSGBYRSHJP-ILAIQSSSSA-N
XLogP2.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6S)-2,5-diethyl-3-fluoro-6-methoxy-4-methyloxane?
The IUPAC name of (2R,3R,4R,5R,6S)-2,5-diethyl-3-fluoro-6-methoxy-4-methyloxane (CID 58349951) is (2R,3R,4R,5R,6S)-2,5-diethyl-3-fluoro-6-methoxy-4-methyloxane.
What is the SMILES notation for (2R,3R,4R,5R,6S)-2,5-diethyl-3-fluoro-6-methoxy-4-methyloxane?
The canonical SMILES for (2R,3R,4R,5R,6S)-2,5-diethyl-3-fluoro-6-methoxy-4-methyloxane is CC[C@H]1[C@@H](OC)O[C@H](CC)[C@H](F)[C@@H]1C.
What is the InChIKey of (2R,3R,4R,5R,6S)-2,5-diethyl-3-fluoro-6-methoxy-4-methyloxane?
The InChIKey is CZLCDSGBYRSHJP-ILAIQSSSSA-N. The full InChI is InChI=1S/C11H21FO2/c1-5-8-7(3)10(12)9(6-2)14-11(8)13-4/h7-11H,5-6H2,1-4H3/t7-,8-,9-,10-,11+/m1/s1.
What are the key properties of (2R,3R,4R,5R,6S)-2,5-diethyl-3-fluoro-6-methoxy-4-methyloxane?
(2R,3R,4R,5R,6S)-2,5-diethyl-3-fluoro-6-methoxy-4-methyloxane has a molecular weight of 204.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6S)-2,5-diethyl-3-fluoro-6-methoxy-4-methyloxane is sourced from PubChem (CID 58349951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).