7-fluoro-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane]

C13H17FN2 — CID 84623646

IUPAC7-fluoro-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane]
SMILESCN1CC2(CCCC2)Nc2cc(F)ccc21
InChIInChI=1S/C13H17FN2/c1-16-9-13(6-2-3-7-13)15-11-8-10(14)4-5-12(11)16/h4-5,8,15H,2-3,6-7,9H2,1H3
InChIKeyWPJPEWHKIXGFDI-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.00
Rot. Bonds

About 7-fluoro-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane]

7-fluoro-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane] (PubChem CID 84623646) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 7-fluoro-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane].

Molecular Properties

Compound Name7-fluoro-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane]
PubChem CID84623646
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name7-fluoro-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane]
SMILESCN1CC2(CCCC2)Nc2cc(F)ccc21
InChIInChI=1S/C13H17FN2/c1-16-9-13(6-2-3-7-13)15-11-8-10(14)4-5-12(11)16/h4-5,8,15H,2-3,6-7,9H2,1H3
InChIKeyWPJPEWHKIXGFDI-UHFFFAOYSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane]?
The IUPAC name of 7-fluoro-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane] (CID 84623646) is 7-fluoro-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane].
What is the SMILES notation for 7-fluoro-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane]?
The canonical SMILES for 7-fluoro-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane] is CN1CC2(CCCC2)Nc2cc(F)ccc21.
What is the InChIKey of 7-fluoro-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane]?
The InChIKey is WPJPEWHKIXGFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-16-9-13(6-2-3-7-13)15-11-8-10(14)4-5-12(11)16/h4-5,8,15H,2-3,6-7,9H2,1H3.
What are the key properties of 7-fluoro-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane]?
7-fluoro-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane] has a molecular weight of 220.29 g/mol, XLogP of 3.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane] is sourced from PubChem (CID 84623646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).