1-(2-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)-N-methylmethanamine

C11H14FNOS — CID 165391229

IUPAC1-(2-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)-N-methylmethanamine
SMILESCNCC1OCC2(CC2)c2cc(F)sc21
InChIInChI=1S/C11H14FNOS/c1-13-5-8-10-7(4-9(12)15-10)11(2-3-11)6-14-8/h4,8,13H,2-3,5-6H2,1H3
InChIKeyYNHIBUAUOPCTMI-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.21
Rot. Bonds2

About 1-(2-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)-N-methylmethanamine

1-(2-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)-N-methylmethanamine (PubChem CID 165391229) has the molecular formula C11H14FNOS and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-(2-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)-N-methylmethanamine
PubChem CID165391229
Molecular FormulaC11H14FNOS
Molecular Weight227.30 g/mol
Exact Mass227.08
IUPAC Name1-(2-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)-N-methylmethanamine
SMILESCNCC1OCC2(CC2)c2cc(F)sc21
InChIInChI=1S/C11H14FNOS/c1-13-5-8-10-7(4-9(12)15-10)11(2-3-11)6-14-8/h4,8,13H,2-3,5-6H2,1H3
InChIKeyYNHIBUAUOPCTMI-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)-N-methylmethanamine (CID 165391229) is 1-(2-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)-N-methylmethanamine is CNCC1OCC2(CC2)c2cc(F)sc21.
What is the InChIKey of 1-(2-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)-N-methylmethanamine?
The InChIKey is YNHIBUAUOPCTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNOS/c1-13-5-8-10-7(4-9(12)15-10)11(2-3-11)6-14-8/h4,8,13H,2-3,5-6H2,1H3.
What are the key properties of 1-(2-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)-N-methylmethanamine?
1-(2-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)-N-methylmethanamine has a molecular weight of 227.30 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)-N-methylmethanamine is sourced from PubChem (CID 165391229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).