2,8-ditert-butyl-3-fluoroquinoline

C17H22FN — CID 134411092

IUPAC2,8-ditert-butyl-3-fluoroquinoline
SMILESCC(C)(C)c1nc2c(C(C)(C)C)cccc2cc1F
InChIInChI=1S/C17H22FN/c1-16(2,3)12-9-7-8-11-10-13(18)15(17(4,5)6)19-14(11)12/h7-10H,1-6H3
InChIKeyKLSGKGAPSHLAMR-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.97
Rot. Bonds

About 2,8-ditert-butyl-3-fluoroquinoline

2,8-ditert-butyl-3-fluoroquinoline (PubChem CID 134411092) has the molecular formula C17H22FN and a molecular weight of 259.37 g/mol. Its IUPAC name is 2,8-ditert-butyl-3-fluoroquinoline.

Molecular Properties

Compound Name2,8-ditert-butyl-3-fluoroquinoline
PubChem CID134411092
Molecular FormulaC17H22FN
Molecular Weight259.37 g/mol
Exact Mass259.17
IUPAC Name2,8-ditert-butyl-3-fluoroquinoline
SMILESCC(C)(C)c1nc2c(C(C)(C)C)cccc2cc1F
InChIInChI=1S/C17H22FN/c1-16(2,3)12-9-7-8-11-10-13(18)15(17(4,5)6)19-14(11)12/h7-10H,1-6H3
InChIKeyKLSGKGAPSHLAMR-UHFFFAOYSA-N
XLogP4.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-8-fluoroquinolin-3-ol
CID 165467627
8-tert-butyl-3-methyl-2-phenylquinoline
CID 11011231
3-chloro-2,8-bis(trifluoromethyl)quinoline
CID 22730365
3-tert-butyl-N-ethyl-8-(trifluoromethyl)quinolin-2-amine
CID 63385895
2,5-ditert-butyl-3-methylquinoxaline
CID 134411080
7-tert-butyl-2-iodoindazole
CID 170406534
8-tert-butyl-1-chloro-2-fluoronaphthalene
CID 155794339
1-tert-butyl-5-fluoronaphthalene
CID 14176344
2-chloro-3-methoxy-8-(trifluoromethyl)quinoline
CID 117246675
3-tert-butyl-2-chloro-7,8-difluoroquinoline
CID 63382112
5,8,15,18,25,28-hexatert-butyl-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene
CID 140917962
2,3-ditert-butylnaphthalene
CID 14173307

Frequently Asked Questions

What is the IUPAC name of 2,8-ditert-butyl-3-fluoroquinoline?
The IUPAC name of 2,8-ditert-butyl-3-fluoroquinoline (CID 134411092) is 2,8-ditert-butyl-3-fluoroquinoline.
What is the SMILES notation for 2,8-ditert-butyl-3-fluoroquinoline?
The canonical SMILES for 2,8-ditert-butyl-3-fluoroquinoline is CC(C)(C)c1nc2c(C(C)(C)C)cccc2cc1F.
What is the InChIKey of 2,8-ditert-butyl-3-fluoroquinoline?
The InChIKey is KLSGKGAPSHLAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN/c1-16(2,3)12-9-7-8-11-10-13(18)15(17(4,5)6)19-14(11)12/h7-10H,1-6H3.
What are the key properties of 2,8-ditert-butyl-3-fluoroquinoline?
2,8-ditert-butyl-3-fluoroquinoline has a molecular weight of 259.37 g/mol, XLogP of 4.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-ditert-butyl-3-fluoroquinoline is sourced from PubChem (CID 134411092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).