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

C14H18F3NOS — CID 169139097

IUPAC(2'S,4R)-2',7-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCC1CO[C@@]2(CCN[C@@H](C)C2)c2cc(C(F)(F)F)sc21
InChIInChI=1S/C14H18F3NOS/c1-8-7-19-13(3-4-18-9(2)6-13)10-5-11(14(15,16)17)20-12(8)10/h5,8-9,18H,3-4,6-7H2,1-2H3/t8?,9-,13+/m0/s1
InChIKeyDOUAMOJYILGQSC-AAHVFUIXSA-N
MW305.37 g/mol
LogP3.87
Rot. Bonds

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

(2'S,4R)-2',7-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 169139097) has the molecular formula C14H18F3NOS and a molecular weight of 305.37 g/mol. Its IUPAC name is (2'S,4R)-2',7-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name(2'S,4R)-2',7-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID169139097
Molecular FormulaC14H18F3NOS
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC Name(2'S,4R)-2',7-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCC1CO[C@@]2(CCN[C@@H](C)C2)c2cc(C(F)(F)F)sc21
InChIInChI=1S/C14H18F3NOS/c1-8-7-19-13(3-4-18-9(2)6-13)10-5-11(14(15,16)17)20-12(8)10/h5,8-9,18H,3-4,6-7H2,1-2H3/t8?,9-,13+/m0/s1
InChIKeyDOUAMOJYILGQSC-AAHVFUIXSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2'S,4R)-2',7-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of (2'S,4R)-2',7-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 169139097) is (2'S,4R)-2',7-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for (2'S,4R)-2',7-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for (2'S,4R)-2',7-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is CC1CO[C@@]2(CCN[C@@H](C)C2)c2cc(C(F)(F)F)sc21.
What is the InChIKey of (2'S,4R)-2',7-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is DOUAMOJYILGQSC-AAHVFUIXSA-N. The full InChI is InChI=1S/C14H18F3NOS/c1-8-7-19-13(3-4-18-9(2)6-13)10-5-11(14(15,16)17)20-12(8)10/h5,8-9,18H,3-4,6-7H2,1-2H3/t8?,9-,13+/m0/s1.
What are the key properties of (2'S,4R)-2',7-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
(2'S,4R)-2',7-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 305.37 g/mol, XLogP of 3.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,4R)-2',7-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 169139097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).