[4-chloro-8-(trifluoromethyl)quinolin-2-yl]-pentafluoro-λ6-sulfane

C10H4ClF8NS — CID 122693971

IUPAC[4-chloro-8-(trifluoromethyl)quinolin-2-yl]-pentafluoro-λ6-sulfane
SMILESFC(F)(F)c1cccc2c(Cl)cc(S(F)(F)(F)(F)F)nc12
InChIInChI=1S/C10H4ClF8NS/c11-7-4-8(21(15,16,17,18)19)20-9-5(7)2-1-3-6(9)10(12,13)14/h1-4H
InChIKeyOGXDMCAOFLOOQO-UHFFFAOYSA-N
MW357.65 g/mol
LogP6.56
Rot. Bonds1

About [4-chloro-8-(trifluoromethyl)quinolin-2-yl]-pentafluoro-λ6-sulfane

[4-chloro-8-(trifluoromethyl)quinolin-2-yl]-pentafluoro-λ6-sulfane (PubChem CID 122693971) has the molecular formula C10H4ClF8NS and a molecular weight of 357.65 g/mol. Its IUPAC name is [4-chloro-8-(trifluoromethyl)quinolin-2-yl]-pentafluoro-λ6-sulfane.

Molecular Properties

Compound Name[4-chloro-8-(trifluoromethyl)quinolin-2-yl]-pentafluoro-λ6-sulfane
PubChem CID122693971
Molecular FormulaC10H4ClF8NS
Molecular Weight357.65 g/mol
Exact Mass356.96
IUPAC Name[4-chloro-8-(trifluoromethyl)quinolin-2-yl]-pentafluoro-λ6-sulfane
SMILESFC(F)(F)c1cccc2c(Cl)cc(S(F)(F)(F)(F)F)nc12
InChIInChI=1S/C10H4ClF8NS/c11-7-4-8(21(15,16,17,18)19)20-9-5(7)2-1-3-6(9)10(12,13)14/h1-4H
InChIKeyOGXDMCAOFLOOQO-UHFFFAOYSA-N
XLogP6.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.65
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-8-(trifluoromethyl)quinolin-2-yl]-pentafluoro-λ6-sulfane?
The IUPAC name of [4-chloro-8-(trifluoromethyl)quinolin-2-yl]-pentafluoro-λ6-sulfane (CID 122693971) is [4-chloro-8-(trifluoromethyl)quinolin-2-yl]-pentafluoro-λ6-sulfane.
What is the SMILES notation for [4-chloro-8-(trifluoromethyl)quinolin-2-yl]-pentafluoro-λ6-sulfane?
The canonical SMILES for [4-chloro-8-(trifluoromethyl)quinolin-2-yl]-pentafluoro-λ6-sulfane is FC(F)(F)c1cccc2c(Cl)cc(S(F)(F)(F)(F)F)nc12.
What is the InChIKey of [4-chloro-8-(trifluoromethyl)quinolin-2-yl]-pentafluoro-λ6-sulfane?
The InChIKey is OGXDMCAOFLOOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF8NS/c11-7-4-8(21(15,16,17,18)19)20-9-5(7)2-1-3-6(9)10(12,13)14/h1-4H.
What are the key properties of [4-chloro-8-(trifluoromethyl)quinolin-2-yl]-pentafluoro-λ6-sulfane?
[4-chloro-8-(trifluoromethyl)quinolin-2-yl]-pentafluoro-λ6-sulfane has a molecular weight of 357.65 g/mol, XLogP of 6.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-8-(trifluoromethyl)quinolin-2-yl]-pentafluoro-λ6-sulfane is sourced from PubChem (CID 122693971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).