2-fluorospiro[6,7-dihydrothieno[3,2-c]pyran-4,3'-pyrrolidine]

C10H12FNOS — CID 53238742

IUPAC2-fluorospiro[6,7-dihydrothieno[3,2-c]pyran-4,3'-pyrrolidine]
SMILESFc1cc2c(s1)CCOC21CCNC1
InChIInChI=1S/C10H12FNOS/c11-9-5-7-8(14-9)1-4-13-10(7)2-3-12-6-10/h5,12H,1-4,6H2
InChIKeyGUHABYPYCGXANA-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.65
Rot. Bonds

About 2-fluorospiro[6,7-dihydrothieno[3,2-c]pyran-4,3'-pyrrolidine]

2-fluorospiro[6,7-dihydrothieno[3,2-c]pyran-4,3'-pyrrolidine] (PubChem CID 53238742) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-fluorospiro[6,7-dihydrothieno[3,2-c]pyran-4,3'-pyrrolidine].

Molecular Properties

Compound Name2-fluorospiro[6,7-dihydrothieno[3,2-c]pyran-4,3'-pyrrolidine]
PubChem CID53238742
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC Name2-fluorospiro[6,7-dihydrothieno[3,2-c]pyran-4,3'-pyrrolidine]
SMILESFc1cc2c(s1)CCOC21CCNC1
InChIInChI=1S/C10H12FNOS/c11-9-5-7-8(14-9)1-4-13-10(7)2-3-12-6-10/h5,12H,1-4,6H2
InChIKeyGUHABYPYCGXANA-UHFFFAOYSA-N
XLogP1.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluorospiro[6,7-dihydrothieno[3,2-c]pyran-4,3'-pyrrolidine]?
The IUPAC name of 2-fluorospiro[6,7-dihydrothieno[3,2-c]pyran-4,3'-pyrrolidine] (CID 53238742) is 2-fluorospiro[6,7-dihydrothieno[3,2-c]pyran-4,3'-pyrrolidine].
What is the SMILES notation for 2-fluorospiro[6,7-dihydrothieno[3,2-c]pyran-4,3'-pyrrolidine]?
The canonical SMILES for 2-fluorospiro[6,7-dihydrothieno[3,2-c]pyran-4,3'-pyrrolidine] is Fc1cc2c(s1)CCOC21CCNC1.
What is the InChIKey of 2-fluorospiro[6,7-dihydrothieno[3,2-c]pyran-4,3'-pyrrolidine]?
The InChIKey is GUHABYPYCGXANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS/c11-9-5-7-8(14-9)1-4-13-10(7)2-3-12-6-10/h5,12H,1-4,6H2.
What are the key properties of 2-fluorospiro[6,7-dihydrothieno[3,2-c]pyran-4,3'-pyrrolidine]?
2-fluorospiro[6,7-dihydrothieno[3,2-c]pyran-4,3'-pyrrolidine] has a molecular weight of 213.28 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorospiro[6,7-dihydrothieno[3,2-c]pyran-4,3'-pyrrolidine] is sourced from PubChem (CID 53238742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).