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

C11H13F2NOS — CID 140657334

IUPAC4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
SMILESFC1(F)COC2(CCNCC2)c2sccc21
InChIInChI=1S/C11H13F2NOS/c12-11(13)7-15-10(2-4-14-5-3-10)9-8(11)1-6-16-9/h1,6,14H,2-5,7H2
InChIKeyIGJYNRJBRWKKKT-UHFFFAOYSA-N
MW245.29 g/mol
LogP2.45
Rot. Bonds

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

4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 140657334) has the molecular formula C11H13F2NOS and a molecular weight of 245.29 g/mol. Its IUPAC name is 4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID140657334
Molecular FormulaC11H13F2NOS
Molecular Weight245.29 g/mol
Exact Mass245.07
IUPAC Name4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
SMILESFC1(F)COC2(CCNCC2)c2sccc21
InChIInChI=1S/C11H13F2NOS/c12-11(13)7-15-10(2-4-14-5-3-10)9-8(11)1-6-16-9/h1,6,14H,2-5,7H2
InChIKeyIGJYNRJBRWKKKT-UHFFFAOYSA-N
XLogP2.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine] with MolForge

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Related Compounds

1-(Cyclohexylmethyl)-6'',7''-dihydrospiro[piperidine-4,4''-thieno[3,2-c]pyran]
CID 25167287
6-Methoxy-6,7-dihydrospiro[piperidine-4,4-thieno[3,2-c]pyran
CID 25129868
2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethanamine
CID 67258500
6',7'-Dihydrospiro[piperidine-4,4'-thieno[3,2-c]pyran]
CID 53238518
4',5'-Dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]; trifluoroacetic acid
CID 131871963
N-methyl-1-[(7S)-7-methyl-4,5-dihydrothieno[2,3-c]pyran-7-yl]methanamine
CID 166631215
2'-Chloro-4',4'-difluoro-4',5'-dihydrospiro[piperidine-4,7'-[7H]thieno[2,3-c]pyran]
CID 58268598
2-Fluorospiro(4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine)
CID 52951552
2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidin-1-ium]
CID 134954817
4',5'-Dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]
CID 52951549
N,N-diethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-sulfonamide
CID 132358081
2-Fluorospiro[6,7-dihydrothieno[3,2-c]pyran-4,3'-pyrrolidine]
CID 53238742

Frequently Asked Questions

What is the IUPAC name of 4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine] (CID 140657334) is 4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine] is FC1(F)COC2(CCNCC2)c2sccc21.
What is the InChIKey of 4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is IGJYNRJBRWKKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NOS/c12-11(13)7-15-10(2-4-14-5-3-10)9-8(11)1-6-16-9/h1,6,14H,2-5,7H2.
What are the key properties of 4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]?
4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 245.29 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 140657334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).