4-chloro-6,7,8-trifluoro-2-(trifluoromethyl)quinoline

C10H2ClF6N — CID 43668790

IUPAC4-chloro-6,7,8-trifluoro-2-(trifluoromethyl)quinoline
SMILESFc1cc2c(Cl)cc(C(F)(F)F)nc2c(F)c1F
InChIInChI=1S/C10H2ClF6N/c11-4-2-6(10(15,16)17)18-9-3(4)1-5(12)7(13)8(9)14/h1-2H
InChIKeyGODDLTGVBKJXSJ-UHFFFAOYSA-N
MW285.57 g/mol
LogP4.32
Rot. Bonds

About 4-chloro-6,7,8-trifluoro-2-(trifluoromethyl)quinoline

4-chloro-6,7,8-trifluoro-2-(trifluoromethyl)quinoline (PubChem CID 43668790) has the molecular formula C10H2ClF6N and a molecular weight of 285.57 g/mol. Its IUPAC name is 4-chloro-6,7,8-trifluoro-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-chloro-6,7,8-trifluoro-2-(trifluoromethyl)quinoline
PubChem CID43668790
Molecular FormulaC10H2ClF6N
Molecular Weight285.57 g/mol
Exact Mass284.98
IUPAC Name4-chloro-6,7,8-trifluoro-2-(trifluoromethyl)quinoline
SMILESFc1cc2c(Cl)cc(C(F)(F)F)nc2c(F)c1F
InChIInChI=1S/C10H2ClF6N/c11-4-2-6(10(15,16)17)18-9-3(4)1-5(12)7(13)8(9)14/h1-2H
InChIKeyGODDLTGVBKJXSJ-UHFFFAOYSA-N
XLogP4.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.57
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6,7,8-trifluoro-2-methylquinoline
CID 15151234
4-chloro-5,6,8-trifluoro-2-(trifluoromethyl)quinoline
CID 62811306
4-chloro-6,7,8-trifluoroquinoline-2-carboxylic acid
CID 55184890
6-bromo-4,7,8-trichloro-2-(trifluoromethyl)quinoline
CID 107792857
[7-chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 62250575
2,3,4-trifluoro-6-(trifluoromethyl)pyridine
CID 46317997
5-bromo-4-chloro-6,8-difluoro-2-(trifluoromethyl)quinoline
CID 102854746
5-chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-amine
CID 55045501
4-chloro-2-(trifluoromethyl)quinoline
CID 2736709
[7,8-difluoro-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 62251548
5,6,8-trifluoro-N-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 62810601
4-chloro-2-(trifluoromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline
CID 43668589

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,7,8-trifluoro-2-(trifluoromethyl)quinoline?
The IUPAC name of 4-chloro-6,7,8-trifluoro-2-(trifluoromethyl)quinoline (CID 43668790) is 4-chloro-6,7,8-trifluoro-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-chloro-6,7,8-trifluoro-2-(trifluoromethyl)quinoline?
The canonical SMILES for 4-chloro-6,7,8-trifluoro-2-(trifluoromethyl)quinoline is Fc1cc2c(Cl)cc(C(F)(F)F)nc2c(F)c1F.
What is the InChIKey of 4-chloro-6,7,8-trifluoro-2-(trifluoromethyl)quinoline?
The InChIKey is GODDLTGVBKJXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2ClF6N/c11-4-2-6(10(15,16)17)18-9-3(4)1-5(12)7(13)8(9)14/h1-2H.
What are the key properties of 4-chloro-6,7,8-trifluoro-2-(trifluoromethyl)quinoline?
4-chloro-6,7,8-trifluoro-2-(trifluoromethyl)quinoline has a molecular weight of 285.57 g/mol, XLogP of 4.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,7,8-trifluoro-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 43668790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).