2-[4-(difluoromethyl)cyclohexyl]-5-methyloxane

C13H22F2O — CID 67890084

IUPAC2-[4-(difluoromethyl)cyclohexyl]-5-methyloxane
SMILESCC1CCC(C2CCC(C(F)F)CC2)OC1
InChIInChI=1S/C13H22F2O/c1-9-2-7-12(16-8-9)10-3-5-11(6-4-10)13(14)15/h9-13H,2-8H2,1H3
InChIKeyHUWQODADEANUSE-UHFFFAOYSA-N
MW232.31 g/mol
LogP3.87
Rot. Bonds2

About 2-[4-(difluoromethyl)cyclohexyl]-5-methyloxane

2-[4-(difluoromethyl)cyclohexyl]-5-methyloxane (PubChem CID 67890084) has the molecular formula C13H22F2O and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)cyclohexyl]-5-methyloxane.

Molecular Properties

Compound Name2-[4-(difluoromethyl)cyclohexyl]-5-methyloxane
PubChem CID67890084
Molecular FormulaC13H22F2O
Molecular Weight232.31 g/mol
Exact Mass232.16
IUPAC Name2-[4-(difluoromethyl)cyclohexyl]-5-methyloxane
SMILESCC1CCC(C2CCC(C(F)F)CC2)OC1
InChIInChI=1S/C13H22F2O/c1-9-2-7-12(16-8-9)10-3-5-11(6-4-10)13(14)15/h9-13H,2-8H2,1H3
InChIKeyHUWQODADEANUSE-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[Ethoxy(difluoro)methyl]-4-methylcyclohexane
CID 11805558
1-Ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)cyclohexane
CID 57298880
(2R,4S)-2-cyclohexyl-4-fluorooxane
CID 146168810
(2S,4R)-2-cyclohexyl-4-fluorooxane
CID 11745349
Difluorothromboxane
CID 129674200
1-(1,1,2,2,2-Pentafluoroethoxy)-4-(4-propylcyclohexyl)cyclohexane
CID 11198653
(1alpha,1'beta)-4beta-Pentyl-4'alpha-(trifluoromethoxy)-1,1'-bicyclohexane
CID 15002009
1-Methyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
CID 15002010
1-Propyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
CID 15002012
1-Propyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane
CID 15218814
1-(2-Fluoroethyl)-4-(4-methoxycyclohexyl)cyclohexane
CID 18344037
1-Ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane
CID 18344108

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)cyclohexyl]-5-methyloxane?
The IUPAC name of 2-[4-(difluoromethyl)cyclohexyl]-5-methyloxane (CID 67890084) is 2-[4-(difluoromethyl)cyclohexyl]-5-methyloxane.
What is the SMILES notation for 2-[4-(difluoromethyl)cyclohexyl]-5-methyloxane?
The canonical SMILES for 2-[4-(difluoromethyl)cyclohexyl]-5-methyloxane is CC1CCC(C2CCC(C(F)F)CC2)OC1.
What is the InChIKey of 2-[4-(difluoromethyl)cyclohexyl]-5-methyloxane?
The InChIKey is HUWQODADEANUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2O/c1-9-2-7-12(16-8-9)10-3-5-11(6-4-10)13(14)15/h9-13H,2-8H2,1H3.
What are the key properties of 2-[4-(difluoromethyl)cyclohexyl]-5-methyloxane?
2-[4-(difluoromethyl)cyclohexyl]-5-methyloxane has a molecular weight of 232.31 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)cyclohexyl]-5-methyloxane is sourced from PubChem (CID 67890084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).