2,4,4-trifluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]

C11H12F3NOS — CID 58268546

IUPAC2,4,4-trifluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
SMILESFc1cc2c(s1)C1(CCNCC1)OCC2(F)F
InChIInChI=1S/C11H12F3NOS/c12-8-5-7-9(17-8)10(1-3-15-4-2-10)16-6-11(7,13)14/h5,15H,1-4,6H2
InChIKeyUDRRAFLRLIHHCM-UHFFFAOYSA-N
MW263.28 g/mol
LogP2.59
Rot. Bonds

About 2,4,4-trifluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]

2,4,4-trifluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 58268546) has the molecular formula C11H12F3NOS and a molecular weight of 263.28 g/mol. Its IUPAC name is 2,4,4-trifluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name2,4,4-trifluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID58268546
Molecular FormulaC11H12F3NOS
Molecular Weight263.28 g/mol
Exact Mass263.06
IUPAC Name2,4,4-trifluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
SMILESFc1cc2c(s1)C1(CCNCC1)OCC2(F)F
InChIInChI=1S/C11H12F3NOS/c12-8-5-7-9(17-8)10(1-3-15-4-2-10)16-6-11(7,13)14/h5,15H,1-4,6H2
InChIKeyUDRRAFLRLIHHCM-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trifluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 2,4,4-trifluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine] (CID 58268546) is 2,4,4-trifluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 2,4,4-trifluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 2,4,4-trifluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine] is Fc1cc2c(s1)C1(CCNCC1)OCC2(F)F.
What is the InChIKey of 2,4,4-trifluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is UDRRAFLRLIHHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NOS/c12-8-5-7-9(17-8)10(1-3-15-4-2-10)16-6-11(7,13)14/h5,15H,1-4,6H2.
What are the key properties of 2,4,4-trifluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]?
2,4,4-trifluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 263.28 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trifluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 58268546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).