8-chloro-4-[[8-chloro-2-(trifluoromethyl)quinolin-4-yl]disulfanyl]-2-(trifluoromethyl)quinoline

C20H8Cl2F6N2S2 — CID 10414490

IUPAC8-chloro-4-[[8-chloro-2-(trifluoromethyl)quinolin-4-yl]disulfanyl]-2-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc(SSc2cc(C(F)(F)F)nc3c(Cl)cccc23)c2cccc(Cl)c2n1
InChIInChI=1S/C20H8Cl2F6N2S2/c21-11-5-1-3-9-13(7-15(19(23,24)25)29-17(9)11)31-32-14-8-16(20(26,27)28)30-18-10(14)4-2-6-12(18)22/h1-8H
InChIKeyRLJJITHGAYYYTF-UHFFFAOYSA-N
MW525.33 g/mol
LogP8.93
Rot. Bonds3

About 8-chloro-4-[[8-chloro-2-(trifluoromethyl)quinolin-4-yl]disulfanyl]-2-(trifluoromethyl)quinoline

8-chloro-4-[[8-chloro-2-(trifluoromethyl)quinolin-4-yl]disulfanyl]-2-(trifluoromethyl)quinoline (PubChem CID 10414490) has the molecular formula C20H8Cl2F6N2S2 and a molecular weight of 525.33 g/mol. Its IUPAC name is 8-chloro-4-[[8-chloro-2-(trifluoromethyl)quinolin-4-yl]disulfanyl]-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name8-chloro-4-[[8-chloro-2-(trifluoromethyl)quinolin-4-yl]disulfanyl]-2-(trifluoromethyl)quinoline
PubChem CID10414490
Molecular FormulaC20H8Cl2F6N2S2
Molecular Weight525.33 g/mol
Exact Mass523.94
IUPAC Name8-chloro-4-[[8-chloro-2-(trifluoromethyl)quinolin-4-yl]disulfanyl]-2-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc(SSc2cc(C(F)(F)F)nc3c(Cl)cccc23)c2cccc(Cl)c2n1
InChIInChI=1S/C20H8Cl2F6N2S2/c21-11-5-1-3-9-13(7-15(19(23,24)25)29-17(9)11)31-32-14-8-16(20(26,27)28)30-18-10(14)4-2-6-12(18)22/h1-8H
InChIKeyRLJJITHGAYYYTF-UHFFFAOYSA-N
XLogP8.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.33
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-chloro-4-[[8-chloro-2-(trifluoromethyl)quinolin-4-yl]disulfanyl]-2-(trifluoromethyl)quinoline with MolForge

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Related Compounds

2-[8-chloro-2-(trifluoromethyl)quinolin-4-yl]sulfanylethanamine
CID 2737663
4-chloro-2-(trifluoromethyl)quinoline
CID 2736709
4-chloro-5,8-dimethyl-2-(trifluoromethyl)quinoline
CID 43668724
8-chloro-3-(trifluoromethyl)isoquinoline
CID 165441282
2-tert-butyl-8-chloro-N-methylquinolin-4-amine
CID 63480466
5-chloro-2-(trifluoromethyl)quinoline
CID 10889765
(1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
CID 125493987
4-ethyl-2,8-bis(trifluoromethyl)quinoline
CID 88573891
N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]ethanamine
CID 82448981
4-chloro-5,6,8-trifluoro-2-(trifluoromethyl)quinoline
CID 62811306
4-chloro-6,7,8-trifluoro-2-(trifluoromethyl)quinoline
CID 43668790
N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]butan-2-amine
CID 82448987

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-[[8-chloro-2-(trifluoromethyl)quinolin-4-yl]disulfanyl]-2-(trifluoromethyl)quinoline?
The IUPAC name of 8-chloro-4-[[8-chloro-2-(trifluoromethyl)quinolin-4-yl]disulfanyl]-2-(trifluoromethyl)quinoline (CID 10414490) is 8-chloro-4-[[8-chloro-2-(trifluoromethyl)quinolin-4-yl]disulfanyl]-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 8-chloro-4-[[8-chloro-2-(trifluoromethyl)quinolin-4-yl]disulfanyl]-2-(trifluoromethyl)quinoline?
The canonical SMILES for 8-chloro-4-[[8-chloro-2-(trifluoromethyl)quinolin-4-yl]disulfanyl]-2-(trifluoromethyl)quinoline is FC(F)(F)c1cc(SSc2cc(C(F)(F)F)nc3c(Cl)cccc23)c2cccc(Cl)c2n1.
What is the InChIKey of 8-chloro-4-[[8-chloro-2-(trifluoromethyl)quinolin-4-yl]disulfanyl]-2-(trifluoromethyl)quinoline?
The InChIKey is RLJJITHGAYYYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H8Cl2F6N2S2/c21-11-5-1-3-9-13(7-15(19(23,24)25)29-17(9)11)31-32-14-8-16(20(26,27)28)30-18-10(14)4-2-6-12(18)22/h1-8H.
What are the key properties of 8-chloro-4-[[8-chloro-2-(trifluoromethyl)quinolin-4-yl]disulfanyl]-2-(trifluoromethyl)quinoline?
8-chloro-4-[[8-chloro-2-(trifluoromethyl)quinolin-4-yl]disulfanyl]-2-(trifluoromethyl)quinoline has a molecular weight of 525.33 g/mol, XLogP of 8.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-[[8-chloro-2-(trifluoromethyl)quinolin-4-yl]disulfanyl]-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 10414490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).