6,7-difluoro-2-methyl-1,8a-dihydroquinoxaline

C9H8F2N2 — CID 154554858

IUPAC6,7-difluoro-2-methyl-1,8a-dihydroquinoxaline
SMILESCC1=CN=C2C=C(F)C(F)=CC2N1
InChIInChI=1S/C9H8F2N2/c1-5-4-12-8-2-6(10)7(11)3-9(8)13-5/h2-4,9,13H,1H3
InChIKeyVLXMTDYODPAFNA-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.98
Rot. Bonds

About 6,7-difluoro-2-methyl-1,8a-dihydroquinoxaline

6,7-difluoro-2-methyl-1,8a-dihydroquinoxaline (PubChem CID 154554858) has the molecular formula C9H8F2N2 and a molecular weight of 182.17 g/mol. Its IUPAC name is 6,7-difluoro-2-methyl-1,8a-dihydroquinoxaline.

Molecular Properties

Compound Name6,7-difluoro-2-methyl-1,8a-dihydroquinoxaline
PubChem CID154554858
Molecular FormulaC9H8F2N2
Molecular Weight182.17 g/mol
Exact Mass182.07
IUPAC Name6,7-difluoro-2-methyl-1,8a-dihydroquinoxaline
SMILESCC1=CN=C2C=C(F)C(F)=CC2N1
InChIInChI=1S/C9H8F2N2/c1-5-4-12-8-2-6(10)7(11)3-9(8)13-5/h2-4,9,13H,1H3
InChIKeyVLXMTDYODPAFNA-UHFFFAOYSA-N
XLogP1.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-6-methylidene-N-propyl-3-(trifluoromethyl)azepin-4-amine
CID 118494002
3-Chloro-6-fluoro-1,8a-dihydroquinoxaline
CID 132195915
6,7-Difluoro-2,3-dimethyl-1,8a-dihydroquinoxaline
CID 147138512
6,7-Difluoro-3-methyl-1,2,4a,8a-tetrahydroquinoxaline
CID 164085607
1,1,1-Trifluoro-4-imino-5-[2-(trifluoromethyl)-1,2-dihydropyridin-6-yl]pent-2-en-2-amine
CID 175628753
1,8a-Dihydroquinoxaline
CID 21990073
1,4,5,5a-Tetrahydrophenazine
CID 23504326
2-Propan-2-yl-1,8a-dihydroquinoxaline
CID 88995422
3-Methyl-1,8a-dihydroquinoxaline
CID 141970301
1,8a-Dihydroquinoxaline;ethane
CID 144316378
6-Methyl-1,8a-dihydroquinoxaline
CID 145493768
(E)-[(8aS)-1-methyl-3-methylidene-8aH-quinoxalin-2-ylidene]methanamine
CID 156395215

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-2-methyl-1,8a-dihydroquinoxaline?
The IUPAC name of 6,7-difluoro-2-methyl-1,8a-dihydroquinoxaline (CID 154554858) is 6,7-difluoro-2-methyl-1,8a-dihydroquinoxaline.
What is the SMILES notation for 6,7-difluoro-2-methyl-1,8a-dihydroquinoxaline?
The canonical SMILES for 6,7-difluoro-2-methyl-1,8a-dihydroquinoxaline is CC1=CN=C2C=C(F)C(F)=CC2N1.
What is the InChIKey of 6,7-difluoro-2-methyl-1,8a-dihydroquinoxaline?
The InChIKey is VLXMTDYODPAFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2/c1-5-4-12-8-2-6(10)7(11)3-9(8)13-5/h2-4,9,13H,1H3.
What are the key properties of 6,7-difluoro-2-methyl-1,8a-dihydroquinoxaline?
6,7-difluoro-2-methyl-1,8a-dihydroquinoxaline has a molecular weight of 182.17 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-2-methyl-1,8a-dihydroquinoxaline is sourced from PubChem (CID 154554858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).