1-(difluoromethoxy)-4-(4-propylcyclohexyl)cyclohexane

C16H28F2O — CID 22375169

IUPAC1-(difluoromethoxy)-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(OC(F)F)CC2)CC1
InChIInChI=1S/C16H28F2O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)19-16(17)18/h12-16H,2-11H2,1H3
InChIKeyDQWMHMBBTULLOG-UHFFFAOYSA-N
MW274.39 g/mol
LogP5.39
Rot. Bonds5

About 1-(difluoromethoxy)-4-(4-propylcyclohexyl)cyclohexane

1-(difluoromethoxy)-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 22375169) has the molecular formula C16H28F2O and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-(4-propylcyclohexyl)cyclohexane
PubChem CID22375169
Molecular FormulaC16H28F2O
Molecular Weight274.39 g/mol
Exact Mass274.21
IUPAC Name1-(difluoromethoxy)-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(OC(F)F)CC2)CC1
InChIInChI=1S/C16H28F2O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)19-16(17)18/h12-16H,2-11H2,1H3
InChIKeyDQWMHMBBTULLOG-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.39
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-(difluoromethoxy)-4-(4-propylcyclohexyl)cyclohexane (CID 22375169) is 1-(difluoromethoxy)-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(difluoromethoxy)-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(difluoromethoxy)-4-(4-propylcyclohexyl)cyclohexane is CCCC1CCC(C2CCC(OC(F)F)CC2)CC1.
What is the InChIKey of 1-(difluoromethoxy)-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is DQWMHMBBTULLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)19-16(17)18/h12-16H,2-11H2,1H3.
What are the key properties of 1-(difluoromethoxy)-4-(4-propylcyclohexyl)cyclohexane?
1-(difluoromethoxy)-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 274.39 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 22375169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).