2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid

C12H14FNO3S — CID 67168725

IUPAC2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)OCCc1cc(F)sc12
InChIInChI=1S/C12H14FNO3S/c13-9-7-8-1-6-17-12(10(8)18-9)2-4-14(5-3-12)11(15)16/h7H,1-6H2,(H,15,16)
InChIKeyMTHBNFJOMVTGJH-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.43
Rot. Bonds

About 2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid

2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid (PubChem CID 67168725) has the molecular formula C12H14FNO3S and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid
PubChem CID67168725
Molecular FormulaC12H14FNO3S
Molecular Weight271.31 g/mol
Exact Mass271.07
IUPAC Name2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)OCCc1cc(F)sc12
InChIInChI=1S/C12H14FNO3S/c13-9-7-8-1-6-17-12(10(8)18-9)2-4-14(5-3-12)11(15)16/h7H,1-6H2,(H,15,16)
InChIKeyMTHBNFJOMVTGJH-UHFFFAOYSA-N
XLogP2.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of 2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid (CID 67168725) is 2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for 2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for 2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid is O=C(O)N1CCC2(CC1)OCCc1cc(F)sc12.
What is the InChIKey of 2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid?
The InChIKey is MTHBNFJOMVTGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3S/c13-9-7-8-1-6-17-12(10(8)18-9)2-4-14(5-3-12)11(15)16/h7H,1-6H2,(H,15,16).
What are the key properties of 2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid?
2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid has a molecular weight of 271.31 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 67168725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).