2'-cyclopropyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

C15H18F3NOS — CID 169137706

IUPAC2'-cyclopropyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESFC(F)(F)c1cc2c(s1)CCOC21CCNC(C2CC2)C1
InChIInChI=1S/C15H18F3NOS/c16-15(17,18)13-7-10-12(21-13)3-6-20-14(10)4-5-19-11(8-14)9-1-2-9/h7,9,11,19H,1-6,8H2
InChIKeyVAAPBFAFFCWCMD-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.70
Rot. Bonds1

About 2'-cyclopropyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

2'-cyclopropyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 169137706) has the molecular formula C15H18F3NOS and a molecular weight of 317.38 g/mol. Its IUPAC name is 2'-cyclopropyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name2'-cyclopropyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID169137706
Molecular FormulaC15H18F3NOS
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC Name2'-cyclopropyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESFC(F)(F)c1cc2c(s1)CCOC21CCNC(C2CC2)C1
InChIInChI=1S/C15H18F3NOS/c16-15(17,18)13-7-10-12(21-13)3-6-20-14(10)4-5-19-11(8-14)9-1-2-9/h7,9,11,19H,1-6,8H2
InChIKeyVAAPBFAFFCWCMD-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2'-cyclopropyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of 2'-cyclopropyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 169137706) is 2'-cyclopropyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for 2'-cyclopropyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for 2'-cyclopropyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is FC(F)(F)c1cc2c(s1)CCOC21CCNC(C2CC2)C1.
What is the InChIKey of 2'-cyclopropyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is VAAPBFAFFCWCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NOS/c16-15(17,18)13-7-10-12(21-13)3-6-20-14(10)4-5-19-11(8-14)9-1-2-9/h7,9,11,19H,1-6,8H2.
What are the key properties of 2'-cyclopropyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
2'-cyclopropyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 317.38 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-cyclopropyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 169137706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).