4-tert-butyl-8-chloro-3-fluoroquinoline

C13H13ClFN — CID 105499886

IUPAC4-tert-butyl-8-chloro-3-fluoroquinoline
SMILESCC(C)(C)c1c(F)cnc2c(Cl)cccc12
InChIInChI=1S/C13H13ClFN/c1-13(2,3)11-8-5-4-6-9(14)12(8)16-7-10(11)15/h4-7H,1-3H3
InChIKeyVNMCJRRGIZJNCD-UHFFFAOYSA-N
MW237.71 g/mol
LogP4.32
Rot. Bonds

About 4-tert-butyl-8-chloro-3-fluoroquinoline

4-tert-butyl-8-chloro-3-fluoroquinoline (PubChem CID 105499886) has the molecular formula C13H13ClFN and a molecular weight of 237.71 g/mol. Its IUPAC name is 4-tert-butyl-8-chloro-3-fluoroquinoline.

Molecular Properties

Compound Name4-tert-butyl-8-chloro-3-fluoroquinoline
PubChem CID105499886
Molecular FormulaC13H13ClFN
Molecular Weight237.71 g/mol
Exact Mass237.07
IUPAC Name4-tert-butyl-8-chloro-3-fluoroquinoline
SMILESCC(C)(C)c1c(F)cnc2c(Cl)cccc12
InChIInChI=1S/C13H13ClFN/c1-13(2,3)11-8-5-4-6-9(14)12(8)16-7-10(11)15/h4-7H,1-3H3
InChIKeyVNMCJRRGIZJNCD-UHFFFAOYSA-N
XLogP4.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-8-chloroquinoline
CID 59637005
methyl 4,8-dichloroquinoline-3-carboxylate
CID 112703942
8-chloro-4-methylquinoline-3-carbonitrile
CID 105454918
8-chloro-4-propan-2-ylquinolin-3-amine
CID 105476881
8-chloro-3-iodoquinolin-4-amine
CID 121236751
8-chloro-5-fluoroquinoline
CID 53435993
ethyl 4,8-dichloroquinoline-3-carboxylate
CID 728974
8-chloro-4-(dimethylamino)quinoline-3-carbonitrile
CID 82242893
2,3-ditert-butyl-8-chloroquinazolin-4-one
CID 90250761
8-chloro-N-ethylquinolin-4-amine
CID 62190462
2-tert-butyl-3-chloroaniline
CID 68787063
1,4-dichloro-5-fluoroisoquinoline
CID 84681499

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-8-chloro-3-fluoroquinoline?
The IUPAC name of 4-tert-butyl-8-chloro-3-fluoroquinoline (CID 105499886) is 4-tert-butyl-8-chloro-3-fluoroquinoline.
What is the SMILES notation for 4-tert-butyl-8-chloro-3-fluoroquinoline?
The canonical SMILES for 4-tert-butyl-8-chloro-3-fluoroquinoline is CC(C)(C)c1c(F)cnc2c(Cl)cccc12.
What is the InChIKey of 4-tert-butyl-8-chloro-3-fluoroquinoline?
The InChIKey is VNMCJRRGIZJNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN/c1-13(2,3)11-8-5-4-6-9(14)12(8)16-7-10(11)15/h4-7H,1-3H3.
What are the key properties of 4-tert-butyl-8-chloro-3-fluoroquinoline?
4-tert-butyl-8-chloro-3-fluoroquinoline has a molecular weight of 237.71 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-tert-butyl-8-chloro-3-fluoroquinoline is sourced from PubChem (CID 105499886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).