6-fluoro-3-methyl-2-propan-2-ylquinoxaline

C12H13FN2 — CID 90949663

IUPAC6-fluoro-3-methyl-2-propan-2-ylquinoxaline
SMILESCc1nc2cc(F)ccc2nc1C(C)C
InChIInChI=1S/C12H13FN2/c1-7(2)12-8(3)14-11-6-9(13)4-5-10(11)15-12/h4-7H,1-3H3
InChIKeyCJEBUZMFCCMNRB-UHFFFAOYSA-N
MW204.25 g/mol
LogP3.20
Rot. Bonds1

About 6-fluoro-3-methyl-2-propan-2-ylquinoxaline

6-fluoro-3-methyl-2-propan-2-ylquinoxaline (PubChem CID 90949663) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 6-fluoro-3-methyl-2-propan-2-ylquinoxaline.

Molecular Properties

Compound Name6-fluoro-3-methyl-2-propan-2-ylquinoxaline
PubChem CID90949663
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name6-fluoro-3-methyl-2-propan-2-ylquinoxaline
SMILESCc1nc2cc(F)ccc2nc1C(C)C
InChIInChI=1S/C12H13FN2/c1-7(2)12-8(3)14-11-6-9(13)4-5-10(11)15-12/h4-7H,1-3H3
InChIKeyCJEBUZMFCCMNRB-UHFFFAOYSA-N
XLogP3.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-7-fluoro-2-methyl-3-propan-2-ylquinoline
CID 103996066
2,3-dibromo-6-fluoroquinoxaline
CID 71652953
7-fluoro-4-propan-2-ylpyrrolo[1,2-a]quinoxaline
CID 177405895
6-fluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine
CID 62913667
3-fluoro-6-methyl-2-propan-2-ylquinoline
CID 138719468
7-fluoro-3-propan-2-ylquinoline
CID 118097497
6-fluoro-2,3-bis(fluoromethyl)quinoxaline
CID 71580364
7-fluorophenazin-2-ol
CID 154115313
5-fluorocyclobuta[b]quinoxaline-1,2-diol
CID 135502848
2-(6-fluoro-3-methylquinolin-2-yl)propan-1-amine
CID 84622843
6-fluoro-2-methyl-3-(quinolin-2-ylmethoxy)quinoxaline
CID 110173767
7-fluoro-N-[1-(furan-2-yl)ethyl]-2-methylquinoline-3-carboxamide
CID 18168498

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methyl-2-propan-2-ylquinoxaline?
The IUPAC name of 6-fluoro-3-methyl-2-propan-2-ylquinoxaline (CID 90949663) is 6-fluoro-3-methyl-2-propan-2-ylquinoxaline.
What is the SMILES notation for 6-fluoro-3-methyl-2-propan-2-ylquinoxaline?
The canonical SMILES for 6-fluoro-3-methyl-2-propan-2-ylquinoxaline is Cc1nc2cc(F)ccc2nc1C(C)C.
What is the InChIKey of 6-fluoro-3-methyl-2-propan-2-ylquinoxaline?
The InChIKey is CJEBUZMFCCMNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-7(2)12-8(3)14-11-6-9(13)4-5-10(11)15-12/h4-7H,1-3H3.
What are the key properties of 6-fluoro-3-methyl-2-propan-2-ylquinoxaline?
6-fluoro-3-methyl-2-propan-2-ylquinoxaline has a molecular weight of 204.25 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-2-propan-2-ylquinoxaline is sourced from PubChem (CID 90949663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).