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

C15H21FN2 — CID 115097804

IUPAC7-fluoro-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
SMILESCC(C)N1c2ccc(F)cc2NCC12CCCC2
InChIInChI=1S/C15H21FN2/c1-11(2)18-14-6-5-12(16)9-13(14)17-10-15(18)7-3-4-8-15/h5-6,9,11,17H,3-4,7-8,10H2,1-2H3
InChIKeyUVHKMFVTHYQDBM-UHFFFAOYSA-N
MW248.34 g/mol
LogP3.78
Rot. Bonds1

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

7-fluoro-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane] (PubChem CID 115097804) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 7-fluoro-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane].

Molecular Properties

Compound Name7-fluoro-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
PubChem CID115097804
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name7-fluoro-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
SMILESCC(C)N1c2ccc(F)cc2NCC12CCCC2
InChIInChI=1S/C15H21FN2/c1-11(2)18-14-6-5-12(16)9-13(14)17-10-15(18)7-3-4-8-15/h5-6,9,11,17H,3-4,7-8,10H2,1-2H3
InChIKeyUVHKMFVTHYQDBM-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]?
The IUPAC name of 7-fluoro-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane] (CID 115097804) is 7-fluoro-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane].
What is the SMILES notation for 7-fluoro-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]?
The canonical SMILES for 7-fluoro-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane] is CC(C)N1c2ccc(F)cc2NCC12CCCC2.
What is the InChIKey of 7-fluoro-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]?
The InChIKey is UVHKMFVTHYQDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-11(2)18-14-6-5-12(16)9-13(14)17-10-15(18)7-3-4-8-15/h5-6,9,11,17H,3-4,7-8,10H2,1-2H3.
What are the key properties of 7-fluoro-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]?
7-fluoro-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane] has a molecular weight of 248.34 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane] is sourced from PubChem (CID 115097804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).