2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine];hydrochloride

C11H13Cl2F2NOS — CID 67167684

IUPAC2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine];hydrochloride
SMILESCl.FC1(F)COC2(CCNCC2)c2sc(Cl)cc21
InChIInChI=1S/C11H12ClF2NOS.ClH/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;1H
InChIKeyGDZYGSIPEUGQID-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.52
Rot. Bonds

About 2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine];hydrochloride

2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine];hydrochloride (PubChem CID 67167684) has the molecular formula C11H13Cl2F2NOS and a molecular weight of 316.20 g/mol. Its IUPAC name is 2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine];hydrochloride.

Molecular Properties

Compound Name2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine];hydrochloride
PubChem CID67167684
Molecular FormulaC11H13Cl2F2NOS
Molecular Weight316.20 g/mol
Exact Mass315.01
IUPAC Name2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine];hydrochloride
SMILESCl.FC1(F)COC2(CCNCC2)c2sc(Cl)cc21
InChIInChI=1S/C11H12ClF2NOS.ClH/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;1H
InChIKeyGDZYGSIPEUGQID-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine];hydrochloride?
The IUPAC name of 2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine];hydrochloride (CID 67167684) is 2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine];hydrochloride.
What is the SMILES notation for 2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine];hydrochloride?
The canonical SMILES for 2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine];hydrochloride is Cl.FC1(F)COC2(CCNCC2)c2sc(Cl)cc21.
What is the InChIKey of 2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine];hydrochloride?
The InChIKey is GDZYGSIPEUGQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NOS.ClH/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;1H.
What are the key properties of 2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine];hydrochloride?
2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine];hydrochloride has a molecular weight of 316.20 g/mol, XLogP of 3.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine];hydrochloride is sourced from PubChem (CID 67167684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).