4-chloro-8-(trifluoromethyl)quinoline

C20H10Cl2F6N2 — CID 139071425

IUPAC4-chloro-8-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cccc2c(Cl)ccnc12.FC(F)(F)c1cccc2c(Cl)ccnc12
InChIInChI=1S/2C10H5ClF3N/c2*11-8-4-5-15-9-6(8)2-1-3-7(9)10(12,13)14/h2*1-5H
InChIKeyFQZFWSMSHLCHFP-UHFFFAOYSA-N
MW463.21 g/mol
LogP7.81
Rot. Bonds

About 4-chloro-8-(trifluoromethyl)quinoline

4-chloro-8-(trifluoromethyl)quinoline (PubChem CID 139071425) has the molecular formula C20H10Cl2F6N2 and a molecular weight of 463.21 g/mol. Its IUPAC name is 4-chloro-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-chloro-8-(trifluoromethyl)quinoline
PubChem CID139071425
Molecular FormulaC20H10Cl2F6N2
Molecular Weight463.21 g/mol
Exact Mass462.01
IUPAC Name4-chloro-8-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cccc2c(Cl)ccnc12.FC(F)(F)c1cccc2c(Cl)ccnc12
InChIInChI=1S/2C10H5ClF3N/c2*11-8-4-5-15-9-6(8)2-1-3-7(9)10(12,13)14/h2*1-5H
InChIKeyFQZFWSMSHLCHFP-UHFFFAOYSA-N
XLogP7.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.21
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-(trifluoromethyl)quinoline?
The IUPAC name of 4-chloro-8-(trifluoromethyl)quinoline (CID 139071425) is 4-chloro-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-chloro-8-(trifluoromethyl)quinoline?
The canonical SMILES for 4-chloro-8-(trifluoromethyl)quinoline is FC(F)(F)c1cccc2c(Cl)ccnc12.FC(F)(F)c1cccc2c(Cl)ccnc12.
What is the InChIKey of 4-chloro-8-(trifluoromethyl)quinoline?
The InChIKey is FQZFWSMSHLCHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H5ClF3N/c2*11-8-4-5-15-9-6(8)2-1-3-7(9)10(12,13)14/h2*1-5H.
What are the key properties of 4-chloro-8-(trifluoromethyl)quinoline?
4-chloro-8-(trifluoromethyl)quinoline has a molecular weight of 463.21 g/mol, XLogP of 7.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 139071425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).