3-[4-[1-(4-ethylcyclohexyl)ethyl]phenyl]-2,6-difluoropyridine

C21H25F2N — CID 19765443

IUPAC3-[4-[1-(4-ethylcyclohexyl)ethyl]phenyl]-2,6-difluoropyridine
SMILESCCC1CCC(C(C)c2ccc(-c3ccc(F)nc3F)cc2)CC1
InChIInChI=1S/C21H25F2N/c1-3-15-4-6-16(7-5-15)14(2)17-8-10-18(11-9-17)19-12-13-20(22)24-21(19)23/h8-16H,3-7H2,1-2H3
InChIKeyZSMWNYUQTVDYFQ-UHFFFAOYSA-N
MW329.43 g/mol
LogP6.35
Rot. Bonds4

About 3-[4-[1-(4-ethylcyclohexyl)ethyl]phenyl]-2,6-difluoropyridine

3-[4-[1-(4-ethylcyclohexyl)ethyl]phenyl]-2,6-difluoropyridine (PubChem CID 19765443) has the molecular formula C21H25F2N and a molecular weight of 329.43 g/mol. Its IUPAC name is 3-[4-[1-(4-ethylcyclohexyl)ethyl]phenyl]-2,6-difluoropyridine.

Molecular Properties

Compound Name3-[4-[1-(4-ethylcyclohexyl)ethyl]phenyl]-2,6-difluoropyridine
PubChem CID19765443
Molecular FormulaC21H25F2N
Molecular Weight329.43 g/mol
Exact Mass329.20
IUPAC Name3-[4-[1-(4-ethylcyclohexyl)ethyl]phenyl]-2,6-difluoropyridine
SMILESCCC1CCC(C(C)c2ccc(-c3ccc(F)nc3F)cc2)CC1
InChIInChI=1S/C21H25F2N/c1-3-15-4-6-16(7-5-15)14(2)17-8-10-18(11-9-17)19-12-13-20(22)24-21(19)23/h8-16H,3-7H2,1-2H3
InChIKeyZSMWNYUQTVDYFQ-UHFFFAOYSA-N
XLogP6.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.43
LogP ≤ 56.35
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-(4-ethylcyclohexyl)ethylbenzene
CID 154060527
5-[4-[1-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoropyridine
CID 19765560
2-fluoro-5-[4-[1-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 19765579
3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-2,6-difluoropyridine;2,6-difluoro-3-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine
CID 67924052
3-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,6-difluoropyridine
CID 19765404
2,6-difluoro-3-(4-propoxyphenyl)pyridine
CID 19765788
3-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethynyl]-2,6-difluoropyridine
CID 19765466
5-[2-fluoro-4-[1-(4-pentylcyclohexyl)ethyl]phenyl]-2-(trifluoromethyl)pyridine
CID 19765398
2,6-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]pyridine
CID 19765472
difluoromethylbenzene;ethylcyclopropane
CID 157034020
(2,6-difluoro-3-pyridinyl) 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylate
CID 19765540
4-(difluoromethyl)-2-[4-(4-ethylcyclohexyl)phenyl]benzenecarbothioic S-acid
CID 88595770

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(4-ethylcyclohexyl)ethyl]phenyl]-2,6-difluoropyridine?
The IUPAC name of 3-[4-[1-(4-ethylcyclohexyl)ethyl]phenyl]-2,6-difluoropyridine (CID 19765443) is 3-[4-[1-(4-ethylcyclohexyl)ethyl]phenyl]-2,6-difluoropyridine.
What is the SMILES notation for 3-[4-[1-(4-ethylcyclohexyl)ethyl]phenyl]-2,6-difluoropyridine?
The canonical SMILES for 3-[4-[1-(4-ethylcyclohexyl)ethyl]phenyl]-2,6-difluoropyridine is CCC1CCC(C(C)c2ccc(-c3ccc(F)nc3F)cc2)CC1.
What is the InChIKey of 3-[4-[1-(4-ethylcyclohexyl)ethyl]phenyl]-2,6-difluoropyridine?
The InChIKey is ZSMWNYUQTVDYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N/c1-3-15-4-6-16(7-5-15)14(2)17-8-10-18(11-9-17)19-12-13-20(22)24-21(19)23/h8-16H,3-7H2,1-2H3.
What are the key properties of 3-[4-[1-(4-ethylcyclohexyl)ethyl]phenyl]-2,6-difluoropyridine?
3-[4-[1-(4-ethylcyclohexyl)ethyl]phenyl]-2,6-difluoropyridine has a molecular weight of 329.43 g/mol, XLogP of 6.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(4-ethylcyclohexyl)ethyl]phenyl]-2,6-difluoropyridine is sourced from PubChem (CID 19765443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).