5-[4-(4-butylcyclohexyl)cyclohexyl]-2-(difluoromethoxy)pyridine

C22H33F2NO — CID 19765415

IUPAC5-[4-(4-butylcyclohexyl)cyclohexyl]-2-(difluoromethoxy)pyridine
SMILESCCCCC1CCC(C2CCC(c3ccc(OC(F)F)nc3)CC2)CC1
InChIInChI=1S/C22H33F2NO/c1-2-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-14-21(25-15-20)26-22(23)24/h13-19,22H,2-12H2,1H3
InChIKeyVRQYUMOMIWGELS-UHFFFAOYSA-N
MW365.51 g/mol
LogP6.95
Rot. Bonds7

About 5-[4-(4-butylcyclohexyl)cyclohexyl]-2-(difluoromethoxy)pyridine

5-[4-(4-butylcyclohexyl)cyclohexyl]-2-(difluoromethoxy)pyridine (PubChem CID 19765415) has the molecular formula C22H33F2NO and a molecular weight of 365.51 g/mol. Its IUPAC name is 5-[4-(4-butylcyclohexyl)cyclohexyl]-2-(difluoromethoxy)pyridine.

Molecular Properties

Compound Name5-[4-(4-butylcyclohexyl)cyclohexyl]-2-(difluoromethoxy)pyridine
PubChem CID19765415
Molecular FormulaC22H33F2NO
Molecular Weight365.51 g/mol
Exact Mass365.25
IUPAC Name5-[4-(4-butylcyclohexyl)cyclohexyl]-2-(difluoromethoxy)pyridine
SMILESCCCCC1CCC(C2CCC(c3ccc(OC(F)F)nc3)CC2)CC1
InChIInChI=1S/C22H33F2NO/c1-2-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-14-21(25-15-20)26-22(23)24/h13-19,22H,2-12H2,1H3
InChIKeyVRQYUMOMIWGELS-UHFFFAOYSA-N
XLogP6.95
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.51
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-butylcyclohexyl)cyclohexyl]-2-(difluoromethoxy)pyridine?
The IUPAC name of 5-[4-(4-butylcyclohexyl)cyclohexyl]-2-(difluoromethoxy)pyridine (CID 19765415) is 5-[4-(4-butylcyclohexyl)cyclohexyl]-2-(difluoromethoxy)pyridine.
What is the SMILES notation for 5-[4-(4-butylcyclohexyl)cyclohexyl]-2-(difluoromethoxy)pyridine?
The canonical SMILES for 5-[4-(4-butylcyclohexyl)cyclohexyl]-2-(difluoromethoxy)pyridine is CCCCC1CCC(C2CCC(c3ccc(OC(F)F)nc3)CC2)CC1.
What is the InChIKey of 5-[4-(4-butylcyclohexyl)cyclohexyl]-2-(difluoromethoxy)pyridine?
The InChIKey is VRQYUMOMIWGELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33F2NO/c1-2-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-14-21(25-15-20)26-22(23)24/h13-19,22H,2-12H2,1H3.
What are the key properties of 5-[4-(4-butylcyclohexyl)cyclohexyl]-2-(difluoromethoxy)pyridine?
5-[4-(4-butylcyclohexyl)cyclohexyl]-2-(difluoromethoxy)pyridine has a molecular weight of 365.51 g/mol, XLogP of 6.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-butylcyclohexyl)cyclohexyl]-2-(difluoromethoxy)pyridine is sourced from PubChem (CID 19765415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).