3-chloro-2,8-bis(trifluoromethyl)quinoline

C11H4ClF6N — CID 22730365

IUPAC3-chloro-2,8-bis(trifluoromethyl)quinoline
SMILESFC(F)(F)c1nc2c(C(F)(F)F)cccc2cc1Cl
InChIInChI=1S/C11H4ClF6N/c12-7-4-5-2-1-3-6(10(13,14)15)8(5)19-9(7)11(16,17)18/h1-4H
InChIKeyOHNKVXNMBRCGPJ-UHFFFAOYSA-N
MW299.60 g/mol
LogP4.93
Rot. Bonds

About 3-chloro-2,8-bis(trifluoromethyl)quinoline

3-chloro-2,8-bis(trifluoromethyl)quinoline (PubChem CID 22730365) has the molecular formula C11H4ClF6N and a molecular weight of 299.60 g/mol. Its IUPAC name is 3-chloro-2,8-bis(trifluoromethyl)quinoline.

Molecular Properties

Compound Name3-chloro-2,8-bis(trifluoromethyl)quinoline
PubChem CID22730365
Molecular FormulaC11H4ClF6N
Molecular Weight299.60 g/mol
Exact Mass298.99
IUPAC Name3-chloro-2,8-bis(trifluoromethyl)quinoline
SMILESFC(F)(F)c1nc2c(C(F)(F)F)cccc2cc1Cl
InChIInChI=1S/C11H4ClF6N/c12-7-4-5-2-1-3-6(10(13,14)15)8(5)19-9(7)11(16,17)18/h1-4H
InChIKeyOHNKVXNMBRCGPJ-UHFFFAOYSA-N
XLogP4.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.60
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,8-bis(trifluoromethyl)quinoline?
The IUPAC name of 3-chloro-2,8-bis(trifluoromethyl)quinoline (CID 22730365) is 3-chloro-2,8-bis(trifluoromethyl)quinoline.
What is the SMILES notation for 3-chloro-2,8-bis(trifluoromethyl)quinoline?
The canonical SMILES for 3-chloro-2,8-bis(trifluoromethyl)quinoline is FC(F)(F)c1nc2c(C(F)(F)F)cccc2cc1Cl.
What is the InChIKey of 3-chloro-2,8-bis(trifluoromethyl)quinoline?
The InChIKey is OHNKVXNMBRCGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4ClF6N/c12-7-4-5-2-1-3-6(10(13,14)15)8(5)19-9(7)11(16,17)18/h1-4H.
What are the key properties of 3-chloro-2,8-bis(trifluoromethyl)quinoline?
3-chloro-2,8-bis(trifluoromethyl)quinoline has a molecular weight of 299.60 g/mol, XLogP of 4.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,8-bis(trifluoromethyl)quinoline is sourced from PubChem (CID 22730365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).