(2S,5S)-2-[[(2R)-5-fluoro-2-methylcyclohexyl]methyl]-5-methyloxolane

C13H23FO — CID 70325719

IUPAC(2S,5S)-2-[[(2R)-5-fluoro-2-methylcyclohexyl]methyl]-5-methyloxolane
SMILESC[C@@H]1CCC(F)CC1C[C@@H]1CC[C@H](C)O1
InChIInChI=1S/C13H23FO/c1-9-3-5-12(14)7-11(9)8-13-6-4-10(2)15-13/h9-13H,3-8H2,1-2H3/t9-,10+,11?,12?,13+/m1/s1
InChIKeyNSDFJJDXUCEDLK-QUANKSPYSA-N
MW214.32 g/mol
LogP3.72
Rot. Bonds2

About (2S,5S)-2-[[(2R)-5-fluoro-2-methylcyclohexyl]methyl]-5-methyloxolane

(2S,5S)-2-[[(2R)-5-fluoro-2-methylcyclohexyl]methyl]-5-methyloxolane (PubChem CID 70325719) has the molecular formula C13H23FO and a molecular weight of 214.32 g/mol. Its IUPAC name is (2S,5S)-2-[[(2R)-5-fluoro-2-methylcyclohexyl]methyl]-5-methyloxolane.

Molecular Properties

Compound Name(2S,5S)-2-[[(2R)-5-fluoro-2-methylcyclohexyl]methyl]-5-methyloxolane
PubChem CID70325719
Molecular FormulaC13H23FO
Molecular Weight214.32 g/mol
Exact Mass214.17
IUPAC Name(2S,5S)-2-[[(2R)-5-fluoro-2-methylcyclohexyl]methyl]-5-methyloxolane
SMILESC[C@@H]1CCC(F)CC1C[C@@H]1CC[C@H](C)O1
InChIInChI=1S/C13H23FO/c1-9-3-5-12(14)7-11(9)8-13-6-4-10(2)15-13/h9-13H,3-8H2,1-2H3/t9-,10+,11?,12?,13+/m1/s1
InChIKeyNSDFJJDXUCEDLK-QUANKSPYSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-[[(2R)-5-fluoro-2-methylcyclohexyl]methyl]-5-methyloxolane?
The IUPAC name of (2S,5S)-2-[[(2R)-5-fluoro-2-methylcyclohexyl]methyl]-5-methyloxolane (CID 70325719) is (2S,5S)-2-[[(2R)-5-fluoro-2-methylcyclohexyl]methyl]-5-methyloxolane.
What is the SMILES notation for (2S,5S)-2-[[(2R)-5-fluoro-2-methylcyclohexyl]methyl]-5-methyloxolane?
The canonical SMILES for (2S,5S)-2-[[(2R)-5-fluoro-2-methylcyclohexyl]methyl]-5-methyloxolane is C[C@@H]1CCC(F)CC1C[C@@H]1CC[C@H](C)O1.
What is the InChIKey of (2S,5S)-2-[[(2R)-5-fluoro-2-methylcyclohexyl]methyl]-5-methyloxolane?
The InChIKey is NSDFJJDXUCEDLK-QUANKSPYSA-N. The full InChI is InChI=1S/C13H23FO/c1-9-3-5-12(14)7-11(9)8-13-6-4-10(2)15-13/h9-13H,3-8H2,1-2H3/t9-,10+,11?,12?,13+/m1/s1.
What are the key properties of (2S,5S)-2-[[(2R)-5-fluoro-2-methylcyclohexyl]methyl]-5-methyloxolane?
(2S,5S)-2-[[(2R)-5-fluoro-2-methylcyclohexyl]methyl]-5-methyloxolane has a molecular weight of 214.32 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-[[(2R)-5-fluoro-2-methylcyclohexyl]methyl]-5-methyloxolane is sourced from PubChem (CID 70325719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).