4-chloro-6,7,8-trifluoro-2-methylquinoline

C10H5ClF3N — CID 15151234

IUPAC4-chloro-6,7,8-trifluoro-2-methylquinoline
SMILESCc1cc(Cl)c2cc(F)c(F)c(F)c2n1
InChIInChI=1S/C10H5ClF3N/c1-4-2-6(11)5-3-7(12)8(13)9(14)10(5)15-4/h2-3H,1H3
InChIKeyHQUHDAZFRVRKBR-UHFFFAOYSA-N
MW231.60 g/mol
LogP3.61
Rot. Bonds

About 4-chloro-6,7,8-trifluoro-2-methylquinoline

4-chloro-6,7,8-trifluoro-2-methylquinoline (PubChem CID 15151234) has the molecular formula C10H5ClF3N and a molecular weight of 231.60 g/mol. Its IUPAC name is 4-chloro-6,7,8-trifluoro-2-methylquinoline.

Molecular Properties

Compound Name4-chloro-6,7,8-trifluoro-2-methylquinoline
PubChem CID15151234
Molecular FormulaC10H5ClF3N
Molecular Weight231.60 g/mol
Exact Mass231.01
IUPAC Name4-chloro-6,7,8-trifluoro-2-methylquinoline
SMILESCc1cc(Cl)c2cc(F)c(F)c(F)c2n1
InChIInChI=1S/C10H5ClF3N/c1-4-2-6(11)5-3-7(12)8(13)9(14)10(5)15-4/h2-3H,1H3
InChIKeyHQUHDAZFRVRKBR-UHFFFAOYSA-N
XLogP3.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.60
LogP ≤ 53.61
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,7,8-trifluoro-2-methylquinoline?
The IUPAC name of 4-chloro-6,7,8-trifluoro-2-methylquinoline (CID 15151234) is 4-chloro-6,7,8-trifluoro-2-methylquinoline.
What is the SMILES notation for 4-chloro-6,7,8-trifluoro-2-methylquinoline?
The canonical SMILES for 4-chloro-6,7,8-trifluoro-2-methylquinoline is Cc1cc(Cl)c2cc(F)c(F)c(F)c2n1.
What is the InChIKey of 4-chloro-6,7,8-trifluoro-2-methylquinoline?
The InChIKey is HQUHDAZFRVRKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3N/c1-4-2-6(11)5-3-7(12)8(13)9(14)10(5)15-4/h2-3H,1H3.
What are the key properties of 4-chloro-6,7,8-trifluoro-2-methylquinoline?
4-chloro-6,7,8-trifluoro-2-methylquinoline has a molecular weight of 231.60 g/mol, XLogP of 3.61, 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-methylquinoline is sourced from PubChem (CID 15151234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).