3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propanoic acid

C14H18FNO3S — CID 67170160

IUPAC3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propanoic acid
SMILESO=C(O)CCN1CCC2(CC1)OCCc1cc(F)sc12
InChIInChI=1S/C14H18FNO3S/c15-11-9-10-2-8-19-14(13(10)20-11)3-6-16(7-4-14)5-1-12(17)18/h9H,1-8H2,(H,17,18)
InChIKeyMZFQXIPCCRJQSZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.23
Rot. Bonds3

About 3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propanoic acid

3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propanoic acid (PubChem CID 67170160) has the molecular formula C14H18FNO3S and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propanoic acid
PubChem CID67170160
Molecular FormulaC14H18FNO3S
Molecular Weight299.37 g/mol
Exact Mass299.10
IUPAC Name3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propanoic acid
SMILESO=C(O)CCN1CCC2(CC1)OCCc1cc(F)sc12
InChIInChI=1S/C14H18FNO3S/c15-11-9-10-2-8-19-14(13(10)20-11)3-6-16(7-4-14)5-1-12(17)18/h9H,1-8H2,(H,17,18)
InChIKeyMZFQXIPCCRJQSZ-UHFFFAOYSA-N
XLogP2.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propanoic acid?
The IUPAC name of 3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propanoic acid (CID 67170160) is 3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propanoic acid.
What is the SMILES notation for 3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propanoic acid?
The canonical SMILES for 3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propanoic acid is O=C(O)CCN1CCC2(CC1)OCCc1cc(F)sc12.
What is the InChIKey of 3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propanoic acid?
The InChIKey is MZFQXIPCCRJQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3S/c15-11-9-10-2-8-19-14(13(10)20-11)3-6-16(7-4-14)5-1-12(17)18/h9H,1-8H2,(H,17,18).
What are the key properties of 3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propanoic acid?
3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propanoic acid has a molecular weight of 299.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propanoic acid is sourced from PubChem (CID 67170160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).