4,4-difluoro-N,N-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-amine

C9H11F2NOS — CID 175827421

IUPAC4,4-difluoro-N,N-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-amine
SMILESCN(C)C1OCC(F)(F)c2ccsc21
InChIInChI=1S/C9H11F2NOS/c1-12(2)8-7-6(3-4-14-7)9(10,11)5-13-8/h3-4,8H,5H2,1-2H3
InChIKeyMPMJQSZTAWKOQT-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.43
Rot. Bonds1

About 4,4-difluoro-N,N-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-amine

4,4-difluoro-N,N-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-amine (PubChem CID 175827421) has the molecular formula C9H11F2NOS and a molecular weight of 219.26 g/mol. Its IUPAC name is 4,4-difluoro-N,N-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-amine.

Molecular Properties

Compound Name4,4-difluoro-N,N-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-amine
PubChem CID175827421
Molecular FormulaC9H11F2NOS
Molecular Weight219.26 g/mol
Exact Mass219.05
IUPAC Name4,4-difluoro-N,N-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-amine
SMILESCN(C)C1OCC(F)(F)c2ccsc21
InChIInChI=1S/C9H11F2NOS/c1-12(2)8-7-6(3-4-14-7)9(10,11)5-13-8/h3-4,8H,5H2,1-2H3
InChIKeyMPMJQSZTAWKOQT-UHFFFAOYSA-N
XLogP2.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N,N-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-amine?
The IUPAC name of 4,4-difluoro-N,N-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-amine (CID 175827421) is 4,4-difluoro-N,N-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-amine.
What is the SMILES notation for 4,4-difluoro-N,N-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-amine?
The canonical SMILES for 4,4-difluoro-N,N-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-amine is CN(C)C1OCC(F)(F)c2ccsc21.
What is the InChIKey of 4,4-difluoro-N,N-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-amine?
The InChIKey is MPMJQSZTAWKOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NOS/c1-12(2)8-7-6(3-4-14-7)9(10,11)5-13-8/h3-4,8H,5H2,1-2H3.
What are the key properties of 4,4-difluoro-N,N-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-amine?
4,4-difluoro-N,N-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-amine has a molecular weight of 219.26 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N,N-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-amine is sourced from PubChem (CID 175827421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).