2-chloro-2'-(2,2-difluorocyclopropyl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C15H18ClF2NOS — CID 164725696

IUPAC2-chloro-2'-(2,2-difluorocyclopropyl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCC1CC2(CC(C3CC3(F)F)N1)OCCc1cc(Cl)sc12
InChIInChI=1S/C15H18ClF2NOS/c1-8-5-14(7-11(19-8)10-6-15(10,17)18)13-9(2-3-20-14)4-12(16)21-13/h4,8,10-11,19H,2-3,5-7H2,1H3
InChIKeyMXQCPPFPBOLMRL-UHFFFAOYSA-N
MW333.83 g/mol
LogP3.97
Rot. Bonds1

About 2-chloro-2'-(2,2-difluorocyclopropyl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

2-chloro-2'-(2,2-difluorocyclopropyl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 164725696) has the molecular formula C15H18ClF2NOS and a molecular weight of 333.83 g/mol. Its IUPAC name is 2-chloro-2'-(2,2-difluorocyclopropyl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name2-chloro-2'-(2,2-difluorocyclopropyl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID164725696
Molecular FormulaC15H18ClF2NOS
Molecular Weight333.83 g/mol
Exact Mass333.08
IUPAC Name2-chloro-2'-(2,2-difluorocyclopropyl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCC1CC2(CC(C3CC3(F)F)N1)OCCc1cc(Cl)sc12
InChIInChI=1S/C15H18ClF2NOS/c1-8-5-14(7-11(19-8)10-6-15(10,17)18)13-9(2-3-20-14)4-12(16)21-13/h4,8,10-11,19H,2-3,5-7H2,1H3
InChIKeyMXQCPPFPBOLMRL-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.83
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2'-(2,2-difluorocyclopropyl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 2-chloro-2'-(2,2-difluorocyclopropyl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 164725696) is 2-chloro-2'-(2,2-difluorocyclopropyl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 2-chloro-2'-(2,2-difluorocyclopropyl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 2-chloro-2'-(2,2-difluorocyclopropyl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is CC1CC2(CC(C3CC3(F)F)N1)OCCc1cc(Cl)sc12.
What is the InChIKey of 2-chloro-2'-(2,2-difluorocyclopropyl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is MXQCPPFPBOLMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF2NOS/c1-8-5-14(7-11(19-8)10-6-15(10,17)18)13-9(2-3-20-14)4-12(16)21-13/h4,8,10-11,19H,2-3,5-7H2,1H3.
What are the key properties of 2-chloro-2'-(2,2-difluorocyclopropyl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
2-chloro-2'-(2,2-difluorocyclopropyl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 333.83 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2'-(2,2-difluorocyclopropyl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 164725696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).