6,7-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine

C9H9F2NOS — CID 61288327

IUPAC6,7-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESNC1CCS(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C9H9F2NOS/c10-6-3-5-8(12)1-2-14(13)9(5)4-7(6)11/h3-4,8H,1-2,12H2
InChIKeyUNXCJWPSRKRUPC-UHFFFAOYSA-N
MW217.24 g/mol
LogP1.48
Rot. Bonds

About 6,7-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine

6,7-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 61288327) has the molecular formula C9H9F2NOS and a molecular weight of 217.24 g/mol. Its IUPAC name is 6,7-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6,7-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID61288327
Molecular FormulaC9H9F2NOS
Molecular Weight217.24 g/mol
Exact Mass217.04
IUPAC Name6,7-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESNC1CCS(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C9H9F2NOS/c10-6-3-5-8(12)1-2-14(13)9(5)4-7(6)11/h3-4,8H,1-2,12H2
InChIKeyUNXCJWPSRKRUPC-UHFFFAOYSA-N
XLogP1.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6,7-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine (CID 61288327) is 6,7-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6,7-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6,7-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine is NC1CCS(=O)c2cc(F)c(F)cc21.
What is the InChIKey of 6,7-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is UNXCJWPSRKRUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NOS/c10-6-3-5-8(12)1-2-14(13)9(5)4-7(6)11/h3-4,8H,1-2,12H2.
What are the key properties of 6,7-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
6,7-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 217.24 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 61288327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).