2-(3-fluoro-4-methylcyclohexyl)-5-methyloxane

C13H23FO — CID 70965545

IUPAC2-(3-fluoro-4-methylcyclohexyl)-5-methyloxane
SMILESCC1CCC(C2CCC(C)C(F)C2)OC1
InChIInChI=1S/C13H23FO/c1-9-3-6-13(15-8-9)11-5-4-10(2)12(14)7-11/h9-13H,3-8H2,1-2H3
InChIKeyMIQXUMLSNZEVRD-UHFFFAOYSA-N
MW214.32 g/mol
LogP3.58
Rot. Bonds1

About 2-(3-fluoro-4-methylcyclohexyl)-5-methyloxane

2-(3-fluoro-4-methylcyclohexyl)-5-methyloxane (PubChem CID 70965545) has the molecular formula C13H23FO and a molecular weight of 214.32 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylcyclohexyl)-5-methyloxane.

Molecular Properties

Compound Name2-(3-fluoro-4-methylcyclohexyl)-5-methyloxane
PubChem CID70965545
Molecular FormulaC13H23FO
Molecular Weight214.32 g/mol
Exact Mass214.17
IUPAC Name2-(3-fluoro-4-methylcyclohexyl)-5-methyloxane
SMILESCC1CCC(C2CCC(C)C(F)C2)OC1
InChIInChI=1S/C13H23FO/c1-9-3-6-13(15-8-9)11-5-4-10(2)12(14)7-11/h9-13H,3-8H2,1-2H3
InChIKeyMIQXUMLSNZEVRD-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.32
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylcyclohexyl)-5-methyloxane?
The IUPAC name of 2-(3-fluoro-4-methylcyclohexyl)-5-methyloxane (CID 70965545) is 2-(3-fluoro-4-methylcyclohexyl)-5-methyloxane.
What is the SMILES notation for 2-(3-fluoro-4-methylcyclohexyl)-5-methyloxane?
The canonical SMILES for 2-(3-fluoro-4-methylcyclohexyl)-5-methyloxane is CC1CCC(C2CCC(C)C(F)C2)OC1.
What is the InChIKey of 2-(3-fluoro-4-methylcyclohexyl)-5-methyloxane?
The InChIKey is MIQXUMLSNZEVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FO/c1-9-3-6-13(15-8-9)11-5-4-10(2)12(14)7-11/h9-13H,3-8H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methylcyclohexyl)-5-methyloxane?
2-(3-fluoro-4-methylcyclohexyl)-5-methyloxane has a molecular weight of 214.32 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylcyclohexyl)-5-methyloxane is sourced from PubChem (CID 70965545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).