2,6-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]pyridine

C20H22F3N — CID 19765472

IUPAC2,6-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]pyridine
SMILESCCCC1CCC(c2ccc(-c3ccc(F)nc3F)c(F)c2)CC1
InChIInChI=1S/C20H22F3N/c1-2-3-13-4-6-14(7-5-13)15-8-9-16(18(21)12-15)17-10-11-19(22)24-20(17)23/h8-14H,2-7H2,1H3
InChIKeyDCAFYCVUFGQVQD-UHFFFAOYSA-N
MW333.40 g/mol
LogP6.24
Rot. Bonds4

About 2,6-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]pyridine

2,6-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]pyridine (PubChem CID 19765472) has the molecular formula C20H22F3N and a molecular weight of 333.40 g/mol. Its IUPAC name is 2,6-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]pyridine.

Molecular Properties

Compound Name2,6-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]pyridine
PubChem CID19765472
Molecular FormulaC20H22F3N
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name2,6-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]pyridine
SMILESCCCC1CCC(c2ccc(-c3ccc(F)nc3F)c(F)c2)CC1
InChIInChI=1S/C20H22F3N/c1-2-3-13-4-6-14(7-5-13)15-8-9-16(18(21)12-15)17-10-11-19(22)24-20(17)23/h8-14H,2-7H2,1H3
InChIKeyDCAFYCVUFGQVQD-UHFFFAOYSA-N
XLogP6.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.40
LogP ≤ 56.24
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

1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 15389837
2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene
CID 18681375
1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene
CID 20657061
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-methylbenzene
CID 67729692
1-(2,2-difluoroethoxy)-2,3-difluoro-4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]benzene
CID 162516344
2-fluoro-1-[2-fluoro-4-[4-(5-fluoropentyl)cyclohexyl]phenyl]-4-(4-pentylcyclohexyl)benzene
CID 21265293
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
2-fluoro-4-[4-(3-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 23297299
1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 59874068
CID 19080554
CID 19080554
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 14693031
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]pyridine?
The IUPAC name of 2,6-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]pyridine (CID 19765472) is 2,6-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]pyridine.
What is the SMILES notation for 2,6-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]pyridine?
The canonical SMILES for 2,6-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]pyridine is CCCC1CCC(c2ccc(-c3ccc(F)nc3F)c(F)c2)CC1.
What is the InChIKey of 2,6-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]pyridine?
The InChIKey is DCAFYCVUFGQVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N/c1-2-3-13-4-6-14(7-5-13)15-8-9-16(18(21)12-15)17-10-11-19(22)24-20(17)23/h8-14H,2-7H2,1H3.
What are the key properties of 2,6-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]pyridine?
2,6-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]pyridine has a molecular weight of 333.40 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]pyridine is sourced from PubChem (CID 19765472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).