3-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,6-difluoropyridine

C21H31F2N — CID 19765404

IUPAC3-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,6-difluoropyridine
SMILESCCC1CCC(C2CCC(CCc3ccc(F)nc3F)CC2)CC1
InChIInChI=1S/C21H31F2N/c1-2-15-3-8-17(9-4-15)18-10-5-16(6-11-18)7-12-19-13-14-20(22)24-21(19)23/h13-18H,2-12H2,1H3
InChIKeyABIWZDJAMIJTAF-UHFFFAOYSA-N
MW335.48 g/mol
LogP6.32
Rot. Bonds5

About 3-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,6-difluoropyridine

3-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,6-difluoropyridine (PubChem CID 19765404) has the molecular formula C21H31F2N and a molecular weight of 335.48 g/mol. Its IUPAC name is 3-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,6-difluoropyridine.

Molecular Properties

Compound Name3-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,6-difluoropyridine
PubChem CID19765404
Molecular FormulaC21H31F2N
Molecular Weight335.48 g/mol
Exact Mass335.24
IUPAC Name3-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,6-difluoropyridine
SMILESCCC1CCC(C2CCC(CCc3ccc(F)nc3F)CC2)CC1
InChIInChI=1S/C21H31F2N/c1-2-15-3-8-17(9-4-15)18-10-5-16(6-11-18)7-12-19-13-14-20(22)24-21(19)23/h13-18H,2-12H2,1H3
InChIKeyABIWZDJAMIJTAF-UHFFFAOYSA-N
XLogP6.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.48
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,3-difluoro-4-pentylbenzene
CID 135193369
3-[2-(4-ethylcyclohexyl)ethyl]-2,5,6-trifluoropyridine
CID 23190792
3-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethynyl]-2,6-difluoropyridine
CID 19765466
1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene
CID 18610850
(2,6-difluoro-3-pyridinyl) 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylate
CID 19765540
2,3-difluoro-1-pentyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;2,3-difluoro-1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
CID 158295310
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene
CID 139861709
2,6-difluoro-3-[2-[2-(4-pentylcyclohexyl)phenyl]ethyl]pyridine
CID 67924020
1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorobenzene
CID 67896160
2,3-difluoro-1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propylbenzene
CID 157321336
1-[(4-ethylcyclohexyl)methoxy]-2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 67895712
1-[2-(4-ethylcyclohexyl)ethyl]-2-fluoro-4-[2-(4-propylphenyl)ethyl]benzene
CID 172817862

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,6-difluoropyridine?
The IUPAC name of 3-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,6-difluoropyridine (CID 19765404) is 3-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,6-difluoropyridine.
What is the SMILES notation for 3-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,6-difluoropyridine?
The canonical SMILES for 3-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,6-difluoropyridine is CCC1CCC(C2CCC(CCc3ccc(F)nc3F)CC2)CC1.
What is the InChIKey of 3-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,6-difluoropyridine?
The InChIKey is ABIWZDJAMIJTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31F2N/c1-2-15-3-8-17(9-4-15)18-10-5-16(6-11-18)7-12-19-13-14-20(22)24-21(19)23/h13-18H,2-12H2,1H3.
What are the key properties of 3-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,6-difluoropyridine?
3-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,6-difluoropyridine has a molecular weight of 335.48 g/mol, XLogP of 6.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,6-difluoropyridine is sourced from PubChem (CID 19765404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).