2-(fluoromethyl)-5-(4-methylcyclohexyl)oxane

C13H23FO — CID 70875693

IUPAC2-(fluoromethyl)-5-(4-methylcyclohexyl)oxane
SMILESCC1CCC(C2CCC(CF)OC2)CC1
InChIInChI=1S/C13H23FO/c1-10-2-4-11(5-3-10)12-6-7-13(8-14)15-9-12/h10-13H,2-9H2,1H3
InChIKeyILLAPONJHYPMAG-UHFFFAOYSA-N
MW214.32 g/mol
LogP3.58
Rot. Bonds2

About 2-(fluoromethyl)-5-(4-methylcyclohexyl)oxane

2-(fluoromethyl)-5-(4-methylcyclohexyl)oxane (PubChem CID 70875693) has the molecular formula C13H23FO and a molecular weight of 214.32 g/mol. Its IUPAC name is 2-(fluoromethyl)-5-(4-methylcyclohexyl)oxane.

Molecular Properties

Compound Name2-(fluoromethyl)-5-(4-methylcyclohexyl)oxane
PubChem CID70875693
Molecular FormulaC13H23FO
Molecular Weight214.32 g/mol
Exact Mass214.17
IUPAC Name2-(fluoromethyl)-5-(4-methylcyclohexyl)oxane
SMILESCC1CCC(C2CCC(CF)OC2)CC1
InChIInChI=1S/C13H23FO/c1-10-2-4-11(5-3-10)12-6-7-13(8-14)15-9-12/h10-13H,2-9H2,1H3
InChIKeyILLAPONJHYPMAG-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-5-(4-methylcyclohexyl)oxane?
The IUPAC name of 2-(fluoromethyl)-5-(4-methylcyclohexyl)oxane (CID 70875693) is 2-(fluoromethyl)-5-(4-methylcyclohexyl)oxane.
What is the SMILES notation for 2-(fluoromethyl)-5-(4-methylcyclohexyl)oxane?
The canonical SMILES for 2-(fluoromethyl)-5-(4-methylcyclohexyl)oxane is CC1CCC(C2CCC(CF)OC2)CC1.
What is the InChIKey of 2-(fluoromethyl)-5-(4-methylcyclohexyl)oxane?
The InChIKey is ILLAPONJHYPMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FO/c1-10-2-4-11(5-3-10)12-6-7-13(8-14)15-9-12/h10-13H,2-9H2,1H3.
What are the key properties of 2-(fluoromethyl)-5-(4-methylcyclohexyl)oxane?
2-(fluoromethyl)-5-(4-methylcyclohexyl)oxane has a molecular weight of 214.32 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-5-(4-methylcyclohexyl)oxane is sourced from PubChem (CID 70875693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).