2-(3,5-difluoro-4-methylcyclohexyl)-5-methyloxane

C13H22F2O — CID 70965547

IUPAC2-(3,5-difluoro-4-methylcyclohexyl)-5-methyloxane
SMILESCC1CCC(C2CC(F)C(C)C(F)C2)OC1
InChIInChI=1S/C13H22F2O/c1-8-3-4-13(16-7-8)10-5-11(14)9(2)12(15)6-10/h8-13H,3-7H2,1-2H3
InChIKeyUNXBBENSAKVEKQ-UHFFFAOYSA-N
MW232.31 g/mol
LogP3.52
Rot. Bonds1

About 2-(3,5-difluoro-4-methylcyclohexyl)-5-methyloxane

2-(3,5-difluoro-4-methylcyclohexyl)-5-methyloxane (PubChem CID 70965547) has the molecular formula C13H22F2O and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-(3,5-difluoro-4-methylcyclohexyl)-5-methyloxane.

Molecular Properties

Compound Name2-(3,5-difluoro-4-methylcyclohexyl)-5-methyloxane
PubChem CID70965547
Molecular FormulaC13H22F2O
Molecular Weight232.31 g/mol
Exact Mass232.16
IUPAC Name2-(3,5-difluoro-4-methylcyclohexyl)-5-methyloxane
SMILESCC1CCC(C2CC(F)C(C)C(F)C2)OC1
InChIInChI=1S/C13H22F2O/c1-8-3-4-13(16-7-8)10-5-11(14)9(2)12(15)6-10/h8-13H,3-7H2,1-2H3
InChIKeyUNXBBENSAKVEKQ-UHFFFAOYSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-4-methylcyclohexyl)-5-methyloxane?
The IUPAC name of 2-(3,5-difluoro-4-methylcyclohexyl)-5-methyloxane (CID 70965547) is 2-(3,5-difluoro-4-methylcyclohexyl)-5-methyloxane.
What is the SMILES notation for 2-(3,5-difluoro-4-methylcyclohexyl)-5-methyloxane?
The canonical SMILES for 2-(3,5-difluoro-4-methylcyclohexyl)-5-methyloxane is CC1CCC(C2CC(F)C(C)C(F)C2)OC1.
What is the InChIKey of 2-(3,5-difluoro-4-methylcyclohexyl)-5-methyloxane?
The InChIKey is UNXBBENSAKVEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2O/c1-8-3-4-13(16-7-8)10-5-11(14)9(2)12(15)6-10/h8-13H,3-7H2,1-2H3.
What are the key properties of 2-(3,5-difluoro-4-methylcyclohexyl)-5-methyloxane?
2-(3,5-difluoro-4-methylcyclohexyl)-5-methyloxane has a molecular weight of 232.31 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-4-methylcyclohexyl)-5-methyloxane is sourced from PubChem (CID 70965547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).