5-[4-(3-fluoro-4-pentylphenyl)phenyl]-2-(trifluoromethyl)pyridine

C23H21F4N — CID 19765518

IUPAC5-[4-(3-fluoro-4-pentylphenyl)phenyl]-2-(trifluoromethyl)pyridine
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(C(F)(F)F)nc3)cc2)cc1F
InChIInChI=1S/C23H21F4N/c1-2-3-4-5-18-10-11-19(14-21(18)24)16-6-8-17(9-7-16)20-12-13-22(28-15-20)23(25,26)27/h6-15H,2-5H2,1H3
InChIKeyBRPPVGXMOIVUMC-UHFFFAOYSA-N
MW387.42 g/mol
LogP7.31
Rot. Bonds6

About 5-[4-(3-fluoro-4-pentylphenyl)phenyl]-2-(trifluoromethyl)pyridine

5-[4-(3-fluoro-4-pentylphenyl)phenyl]-2-(trifluoromethyl)pyridine (PubChem CID 19765518) has the molecular formula C23H21F4N and a molecular weight of 387.42 g/mol. Its IUPAC name is 5-[4-(3-fluoro-4-pentylphenyl)phenyl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[4-(3-fluoro-4-pentylphenyl)phenyl]-2-(trifluoromethyl)pyridine
PubChem CID19765518
Molecular FormulaC23H21F4N
Molecular Weight387.42 g/mol
Exact Mass387.16
IUPAC Name5-[4-(3-fluoro-4-pentylphenyl)phenyl]-2-(trifluoromethyl)pyridine
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(C(F)(F)F)nc3)cc2)cc1F
InChIInChI=1S/C23H21F4N/c1-2-3-4-5-18-10-11-19(14-21(18)24)16-6-8-17(9-7-16)20-12-13-22(28-15-20)23(25,26)27/h6-15H,2-5H2,1H3
InChIKeyBRPPVGXMOIVUMC-UHFFFAOYSA-N
XLogP7.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.42
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-fluoro-4-heptylphenyl)-2-heptylpyrimidine
CID 19008446
2-fluoro-1-pentyl-4-(4-propylphenyl)benzene
CID 67842368
2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene
CID 67842495
5-(3-fluoro-4-heptylphenyl)pyrimidine-2-carbonitrile
CID 21270880
2-(3-fluoro-4-pentylphenyl)-5-(4-heptylphenyl)pyrimidine
CID 21270905
2-(3-fluoro-4-heptylphenyl)-5-octylpyrimidine
CID 21270948
2-(4-butyl-3-fluorophenyl)-5-hexylpyrimidine
CID 21270967
2,4-difluoro-1-pentylbenzene
CID 20770613
5-bromo-2-(3-fluoro-4-hexylphenyl)pyridine
CID 139662086
2-fluoro-4-(4-heptylphenyl)-1-[2-(4-propylphenyl)ethyl]benzene
CID 19906984
1-[4-[4-(3-fluoro-4-pentylphenyl)phenyl]phenyl]pentan-1-one
CID 142331681
2-fluoro-1-(3-fluoro-4-pentylphenyl)-4-(4-methoxyphenyl)benzene
CID 23391170

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-fluoro-4-pentylphenyl)phenyl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-[4-(3-fluoro-4-pentylphenyl)phenyl]-2-(trifluoromethyl)pyridine (CID 19765518) is 5-[4-(3-fluoro-4-pentylphenyl)phenyl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[4-(3-fluoro-4-pentylphenyl)phenyl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[4-(3-fluoro-4-pentylphenyl)phenyl]-2-(trifluoromethyl)pyridine is CCCCCc1ccc(-c2ccc(-c3ccc(C(F)(F)F)nc3)cc2)cc1F.
What is the InChIKey of 5-[4-(3-fluoro-4-pentylphenyl)phenyl]-2-(trifluoromethyl)pyridine?
The InChIKey is BRPPVGXMOIVUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F4N/c1-2-3-4-5-18-10-11-19(14-21(18)24)16-6-8-17(9-7-16)20-12-13-22(28-15-20)23(25,26)27/h6-15H,2-5H2,1H3.
What are the key properties of 5-[4-(3-fluoro-4-pentylphenyl)phenyl]-2-(trifluoromethyl)pyridine?
5-[4-(3-fluoro-4-pentylphenyl)phenyl]-2-(trifluoromethyl)pyridine has a molecular weight of 387.42 g/mol, XLogP of 7.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-fluoro-4-pentylphenyl)phenyl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 19765518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).