5-(4-butoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-butylphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethylphenyl)-2-(trifluoromethyl)pyridine;5-(4-heptylphenyl)-2-(trifluoromethyl)pyridine;5-(4-hexylphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentylphenyl)-2-(trifluoromethyl)pyridine;5-(4-propoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-propylphenyl)-2-(trifluoromethyl)pyridine

C161H162F30N10O4 — CID 173377988

IUPAC5-(4-butoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-butylphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethylphenyl)-2-(trifluoromethyl)pyridine;5-(4-heptylphenyl)-2-(trifluoromethyl)pyridine;5-(4-hexylphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentylphenyl)-2-(trifluoromethyl)pyridine;5-(4-propoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-propylphenyl)-2-(trifluoromethyl)pyridine
SMILESCCCCCCCc1ccc(-c2ccc(C(F)(F)F)nc2)cc1.CCCCCCc1ccc(-c2ccc(C(F)(F)F)nc2)cc1.CCCCCOc1ccc(-c2ccc(C(F)(F)F)nc2)cc1.CCCCCc1ccc(-c2ccc(C(F)(F)F)nc2)cc1.CCCCOc1ccc(-c2ccc(C(F)(F)F)nc2)cc1.CCCCc1ccc(-c2ccc(C(F)(F)F)nc2)cc1.CCCOc1ccc(-c2ccc(C(F)(F)F)nc2)cc1.CCCc1ccc(-c2ccc(C(F)(F)F)nc2)cc1.CCOc1ccc(-c2ccc(C(F)(F)F)nc2)cc1.CCc1ccc(-c2ccc(C(F)(F)F)nc2)cc1
InChIInChI=1S/C19H22F3N.C18H20F3N.C17H18F3NO.C17H18F3N.C16H16F3NO.C16H16F3N.C15H14F3NO.C15H14F3N.C14H12F3NO.C14H12F3N/c1-2-3-4-5-6-7-15-8-10-16(11-9-15)17-12-13-18(23-14-17)19(20,21)22;1-2-3-4-5-6-14-7-9-15(10-8-14)16-11-12-17(22-13-16)18(19,20)21;1-2-3-4-11-22-15-8-5-13(6-9-15)14-7-10-16(21-12-14)17(18,19)20;1-2-3-4-5-13-6-8-14(9-7-13)15-10-11-16(21-12-15)17(18,19)20;1-2-3-10-21-14-7-4-12(5-8-14)13-6-9-15(20-11-13)16(17,18)19;1-2-3-4-12-5-7-13(8-6-12)14-9-10-15(20-11-14)16(17,18)19;1-2-9-20-13-6-3-11(4-7-13)12-5-8-14(19-10-12)15(16,17)18;1-2-3-11-4-6-12(7-5-11)13-8-9-14(19-10-13)15(16,17)18;1-2-19-12-6-3-10(4-7-12)11-5-8-13(18-9-11)14(15,16)17;1-2-10-3-5-11(6-4-10)12-7-8-13(18-9-12)14(15,16)17/h8-14H,2-7H2,1H3;7-13H,2-6H2,1H3;5-10,12H,2-4,11H2,1H3;6-12H,2-5H2,1H3;4-9,11H,2-3,10H2,1H3;5-11H,2-4H2,1H3;3-8,10H,2,9H2,1H3;4-10H,2-3H2,1H3;3-9H,2H2,1H3;3-9H,2H2,1H3
InChIKeyVIMQSIHUGNTHPD-UHFFFAOYSA-N
MW2871.07 g/mol
LogP50.84
Rot. Bonds45

About 5-(4-butoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-butylphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethylphenyl)-2-(trifluoromethyl)pyridine;5-(4-heptylphenyl)-2-(trifluoromethyl)pyridine;5-(4-hexylphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentylphenyl)-2-(trifluoromethyl)pyridine;5-(4-propoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-propylphenyl)-2-(trifluoromethyl)pyridine

5-(4-butoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-butylphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethylphenyl)-2-(trifluoromethyl)pyridine;5-(4-heptylphenyl)-2-(trifluoromethyl)pyridine;5-(4-hexylphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentylphenyl)-2-(trifluoromethyl)pyridine;5-(4-propoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-propylphenyl)-2-(trifluoromethyl)pyridine (PubChem CID 173377988) has the molecular formula C161H162F30N10O4 and a molecular weight of 2871.07 g/mol. Its IUPAC name is 5-(4-butoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-butylphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethylphenyl)-2-(trifluoromethyl)pyridine;5-(4-heptylphenyl)-2-(trifluoromethyl)pyridine;5-(4-hexylphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentylphenyl)-2-(trifluoromethyl)pyridine;5-(4-propoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-propylphenyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(4-butoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-butylphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethylphenyl)-2-(trifluoromethyl)pyridine;5-(4-heptylphenyl)-2-(trifluoromethyl)pyridine;5-(4-hexylphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentylphenyl)-2-(trifluoromethyl)pyridine;5-(4-propoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-propylphenyl)-2-(trifluoromethyl)pyridine
PubChem CID173377988
Molecular FormulaC161H162F30N10O4
Molecular Weight2871.07 g/mol
Exact Mass2869.23
IUPAC Name5-(4-butoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-butylphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethylphenyl)-2-(trifluoromethyl)pyridine;5-(4-heptylphenyl)-2-(trifluoromethyl)pyridine;5-(4-hexylphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentylphenyl)-2-(trifluoromethyl)pyridine;5-(4-propoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-propylphenyl)-2-(trifluoromethyl)pyridine
SMILESCCCCCCCc1ccc(-c2ccc(C(F)(F)F)nc2)cc1.CCCCCCc1ccc(-c2ccc(C(F)(F)F)nc2)cc1.CCCCCOc1ccc(-c2ccc(C(F)(F)F)nc2)cc1.CCCCCc1ccc(-c2ccc(C(F)(F)F)nc2)cc1.CCCCOc1ccc(-c2ccc(C(F)(F)F)nc2)cc1.CCCCc1ccc(-c2ccc(C(F)(F)F)nc2)cc1.CCCOc1ccc(-c2ccc(C(F)(F)F)nc2)cc1.CCCc1ccc(-c2ccc(C(F)(F)F)nc2)cc1.CCOc1ccc(-c2ccc(C(F)(F)F)nc2)cc1.CCc1ccc(-c2ccc(C(F)(F)F)nc2)cc1
InChIInChI=1S/C19H22F3N.C18H20F3N.C17H18F3NO.C17H18F3N.C16H16F3NO.C16H16F3N.C15H14F3NO.C15H14F3N.C14H12F3NO.C14H12F3N/c1-2-3-4-5-6-7-15-8-10-16(11-9-15)17-12-13-18(23-14-17)19(20,21)22;1-2-3-4-5-6-14-7-9-15(10-8-14)16-11-12-17(22-13-16)18(19,20)21;1-2-3-4-11-22-15-8-5-13(6-9-15)14-7-10-16(21-12-14)17(18,19)20;1-2-3-4-5-13-6-8-14(9-7-13)15-10-11-16(21-12-15)17(18,19)20;1-2-3-10-21-14-7-4-12(5-8-14)13-6-9-15(20-11-13)16(17,18)19;1-2-3-4-12-5-7-13(8-6-12)14-9-10-15(20-11-14)16(17,18)19;1-2-9-20-13-6-3-11(4-7-13)12-5-8-14(19-10-12)15(16,17)18;1-2-3-11-4-6-12(7-5-11)13-8-9-14(19-10-13)15(16,17)18;1-2-19-12-6-3-10(4-7-12)11-5-8-13(18-9-11)14(15,16)17;1-2-10-3-5-11(6-4-10)12-7-8-13(18-9-12)14(15,16)17/h8-14H,2-7H2,1H3;7-13H,2-6H2,1H3;5-10,12H,2-4,11H2,1H3;6-12H,2-5H2,1H3;4-9,11H,2-3,10H2,1H3;5-11H,2-4H2,1H3;3-8,10H,2,9H2,1H3;4-10H,2-3H2,1H3;3-9H,2H2,1H3;3-9H,2H2,1H3
InChIKeyVIMQSIHUGNTHPD-UHFFFAOYSA-N
XLogP50.84
TPSA165.82 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds45
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002871.07
LogP ≤ 550.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 5-(4-butoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-butylphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethylphenyl)-2-(trifluoromethyl)pyridine;5-(4-heptylphenyl)-2-(trifluoromethyl)pyridine;5-(4-hexylphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentylphenyl)-2-(trifluoromethyl)pyridine;5-(4-propoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-propylphenyl)-2-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-butoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-butylphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethylphenyl)-2-(trifluoromethyl)pyridine;5-(4-heptylphenyl)-2-(trifluoromethyl)pyridine;5-(4-hexylphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentylphenyl)-2-(trifluoromethyl)pyridine;5-(4-propoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-propylphenyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-(4-butoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-butylphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethylphenyl)-2-(trifluoromethyl)pyridine;5-(4-heptylphenyl)-2-(trifluoromethyl)pyridine;5-(4-hexylphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentylphenyl)-2-(trifluoromethyl)pyridine;5-(4-propoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-propylphenyl)-2-(trifluoromethyl)pyridine (CID 173377988) is 5-(4-butoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-butylphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethylphenyl)-2-(trifluoromethyl)pyridine;5-(4-heptylphenyl)-2-(trifluoromethyl)pyridine;5-(4-hexylphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentylphenyl)-2-(trifluoromethyl)pyridine;5-(4-propoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-propylphenyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(4-butoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-butylphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethylphenyl)-2-(trifluoromethyl)pyridine;5-(4-heptylphenyl)-2-(trifluoromethyl)pyridine;5-(4-hexylphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentylphenyl)-2-(trifluoromethyl)pyridine;5-(4-propoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-propylphenyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(4-butoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-butylphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethylphenyl)-2-(trifluoromethyl)pyridine;5-(4-heptylphenyl)-2-(trifluoromethyl)pyridine;5-(4-hexylphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentylphenyl)-2-(trifluoromethyl)pyridine;5-(4-propoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-propylphenyl)-2-(trifluoromethyl)pyridine is CCCCCCCc1ccc(-c2ccc(C(F)(F)F)nc2)cc1.CCCCCCc1ccc(-c2ccc(C(F)(F)F)nc2)cc1.CCCCCOc1ccc(-c2ccc(C(F)(F)F)nc2)cc1.CCCCCc1ccc(-c2ccc(C(F)(F)F)nc2)cc1.CCCCOc1ccc(-c2ccc(C(F)(F)F)nc2)cc1.CCCCc1ccc(-c2ccc(C(F)(F)F)nc2)cc1.CCCOc1ccc(-c2ccc(C(F)(F)F)nc2)cc1.CCCc1ccc(-c2ccc(C(F)(F)F)nc2)cc1.CCOc1ccc(-c2ccc(C(F)(F)F)nc2)cc1.CCc1ccc(-c2ccc(C(F)(F)F)nc2)cc1.
What is the InChIKey of 5-(4-butoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-butylphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethylphenyl)-2-(trifluoromethyl)pyridine;5-(4-heptylphenyl)-2-(trifluoromethyl)pyridine;5-(4-hexylphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentylphenyl)-2-(trifluoromethyl)pyridine;5-(4-propoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-propylphenyl)-2-(trifluoromethyl)pyridine?
The InChIKey is VIMQSIHUGNTHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N.C18H20F3N.C17H18F3NO.C17H18F3N.C16H16F3NO.C16H16F3N.C15H14F3NO.C15H14F3N.C14H12F3NO.C14H12F3N/c1-2-3-4-5-6-7-15-8-10-16(11-9-15)17-12-13-18(23-14-17)19(20,21)22;1-2-3-4-5-6-14-7-9-15(10-8-14)16-11-12-17(22-13-16)18(19,20)21;1-2-3-4-11-22-15-8-5-13(6-9-15)14-7-10-16(21-12-14)17(18,19)20;1-2-3-4-5-13-6-8-14(9-7-13)15-10-11-16(21-12-15)17(18,19)20;1-2-3-10-21-14-7-4-12(5-8-14)13-6-9-15(20-11-13)16(17,18)19;1-2-3-4-12-5-7-13(8-6-12)14-9-10-15(20-11-14)16(17,18)19;1-2-9-20-13-6-3-11(4-7-13)12-5-8-14(19-10-12)15(16,17)18;1-2-3-11-4-6-12(7-5-11)13-8-9-14(19-10-13)15(16,17)18;1-2-19-12-6-3-10(4-7-12)11-5-8-13(18-9-11)14(15,16)17;1-2-10-3-5-11(6-4-10)12-7-8-13(18-9-12)14(15,16)17/h8-14H,2-7H2,1H3;7-13H,2-6H2,1H3;5-10,12H,2-4,11H2,1H3;6-12H,2-5H2,1H3;4-9,11H,2-3,10H2,1H3;5-11H,2-4H2,1H3;3-8,10H,2,9H2,1H3;4-10H,2-3H2,1H3;3-9H,2H2,1H3;3-9H,2H2,1H3.
What are the key properties of 5-(4-butoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-butylphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethylphenyl)-2-(trifluoromethyl)pyridine;5-(4-heptylphenyl)-2-(trifluoromethyl)pyridine;5-(4-hexylphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentylphenyl)-2-(trifluoromethyl)pyridine;5-(4-propoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-propylphenyl)-2-(trifluoromethyl)pyridine?
5-(4-butoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-butylphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethylphenyl)-2-(trifluoromethyl)pyridine;5-(4-heptylphenyl)-2-(trifluoromethyl)pyridine;5-(4-hexylphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentylphenyl)-2-(trifluoromethyl)pyridine;5-(4-propoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-propylphenyl)-2-(trifluoromethyl)pyridine has a molecular weight of 2871.07 g/mol, XLogP of 50.84, 45 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-butylphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-ethylphenyl)-2-(trifluoromethyl)pyridine;5-(4-heptylphenyl)-2-(trifluoromethyl)pyridine;5-(4-hexylphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-pentylphenyl)-2-(trifluoromethyl)pyridine;5-(4-propoxyphenyl)-2-(trifluoromethyl)pyridine;5-(4-propylphenyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 173377988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).