2-[4-[4-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentylpyridine

C35H24ClF8NO — CID 58383528

IUPAC2-[4-[4-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentylpyridine
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5cc(F)c(Cl)c(F)c5)c(F)c4)c(F)c3)c(F)c2)nc1
InChIInChI=1S/C35H24ClF8NO/c1-2-3-4-5-19-6-11-32(45-18-19)21-8-10-24(27(38)13-21)20-7-9-25(26(37)12-20)22-14-28(39)33(29(40)15-22)35(43,44)46-23-16-30(41)34(36)31(42)17-23/h6-18H,2-5H2,1H3
InChIKeySYOYHEOFTPJLGE-UHFFFAOYSA-N
MW662.02 g/mol
LogP11.43
Rot. Bonds10

About 2-[4-[4-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentylpyridine

2-[4-[4-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentylpyridine (PubChem CID 58383528) has the molecular formula C35H24ClF8NO and a molecular weight of 662.02 g/mol. Its IUPAC name is 2-[4-[4-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentylpyridine.

Molecular Properties

Compound Name2-[4-[4-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentylpyridine
PubChem CID58383528
Molecular FormulaC35H24ClF8NO
Molecular Weight662.02 g/mol
Exact Mass661.14
IUPAC Name2-[4-[4-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentylpyridine
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5cc(F)c(Cl)c(F)c5)c(F)c4)c(F)c3)c(F)c2)nc1
InChIInChI=1S/C35H24ClF8NO/c1-2-3-4-5-19-6-11-32(45-18-19)21-8-10-24(27(38)13-21)20-7-9-25(26(37)12-20)22-14-28(39)33(29(40)15-22)35(43,44)46-23-16-30(41)34(36)31(42)17-23/h6-18H,2-5H2,1H3
InChIKeySYOYHEOFTPJLGE-UHFFFAOYSA-N
XLogP11.43
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.02
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentylpyridine?
The IUPAC name of 2-[4-[4-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentylpyridine (CID 58383528) is 2-[4-[4-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentylpyridine.
What is the SMILES notation for 2-[4-[4-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentylpyridine?
The canonical SMILES for 2-[4-[4-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentylpyridine is CCCCCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5cc(F)c(Cl)c(F)c5)c(F)c4)c(F)c3)c(F)c2)nc1.
What is the InChIKey of 2-[4-[4-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentylpyridine?
The InChIKey is SYOYHEOFTPJLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24ClF8NO/c1-2-3-4-5-19-6-11-32(45-18-19)21-8-10-24(27(38)13-21)20-7-9-25(26(37)12-20)22-14-28(39)33(29(40)15-22)35(43,44)46-23-16-30(41)34(36)31(42)17-23/h6-18H,2-5H2,1H3.
What are the key properties of 2-[4-[4-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentylpyridine?
2-[4-[4-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentylpyridine has a molecular weight of 662.02 g/mol, XLogP of 11.43, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentylpyridine is sourced from PubChem (CID 58383528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).