6-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine

C12H13FN2OS — CID 58316551

IUPAC6-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine
SMILESNC1=NC2(CCOc3ccc(F)cc32)CCS1
InChIInChI=1S/C12H13FN2OS/c13-8-1-2-10-9(7-8)12(3-5-16-10)4-6-17-11(14)15-12/h1-2,7H,3-6H2,(H2,14,15)
InChIKeyBOQXGZGIECOYOH-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.26
Rot. Bonds

About 6-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine

6-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine (PubChem CID 58316551) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is 6-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine.

Molecular Properties

Compound Name6-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine
PubChem CID58316551
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name6-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine
SMILESNC1=NC2(CCOc3ccc(F)cc32)CCS1
InChIInChI=1S/C12H13FN2OS/c13-8-1-2-10-9(7-8)12(3-5-16-10)4-6-17-11(14)15-12/h1-2,7H,3-6H2,(H2,14,15)
InChIKeyBOQXGZGIECOYOH-UHFFFAOYSA-N
XLogP2.26
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine?
The IUPAC name of 6-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine (CID 58316551) is 6-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine.
What is the SMILES notation for 6-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine?
The canonical SMILES for 6-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine is NC1=NC2(CCOc3ccc(F)cc32)CCS1.
What is the InChIKey of 6-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine?
The InChIKey is BOQXGZGIECOYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c13-8-1-2-10-9(7-8)12(3-5-16-10)4-6-17-11(14)15-12/h1-2,7H,3-6H2,(H2,14,15).
What are the key properties of 6-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine?
6-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine has a molecular weight of 252.31 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine is sourced from PubChem (CID 58316551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).