6,8-difluoro-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine

C12H15F2NOS — CID 61288331

IUPAC6,8-difluoro-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCCNC1CCS(=O)c2c(F)cc(F)cc21
InChIInChI=1S/C12H15F2NOS/c1-2-4-15-11-3-5-17(16)12-9(11)6-8(13)7-10(12)14/h6-7,11,15H,2-5H2,1H3
InChIKeyBRFFYJGZKIGBCC-UHFFFAOYSA-N
MW259.32 g/mol
LogP2.52
Rot. Bonds3

About 6,8-difluoro-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine

6,8-difluoro-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 61288331) has the molecular formula C12H15F2NOS and a molecular weight of 259.32 g/mol. Its IUPAC name is 6,8-difluoro-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6,8-difluoro-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID61288331
Molecular FormulaC12H15F2NOS
Molecular Weight259.32 g/mol
Exact Mass259.08
IUPAC Name6,8-difluoro-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCCNC1CCS(=O)c2c(F)cc(F)cc21
InChIInChI=1S/C12H15F2NOS/c1-2-4-15-11-3-5-17(16)12-9(11)6-8(13)7-10(12)14/h6-7,11,15H,2-5H2,1H3
InChIKeyBRFFYJGZKIGBCC-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-6,8-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
CID 61288330
6,8-difluoro-2-methyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 61287922
8-bromo-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 61289511
6,9-dimethyl-1-oxo-N-propyl-2,3,4,5-tetrahydro-1λ4-benzothiepin-5-amine
CID 61289099
6-fluoro-4-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 62124896
7-chloro-1-oxo-N-propyl-2,3,4,5-tetrahydro-1λ4-benzothiepin-5-amine
CID 61288709
N-ethyl-5,8-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
CID 61287512
9-bromo-7-fluoro-N-propyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 82888196
4-fluoro-N-propylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
CID 165459054
6-fluoro-2-methyl-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539052
N-ethyl-8-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
CID 61288732
6-bromo-4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383412

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6,8-difluoro-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine (CID 61288331) is 6,8-difluoro-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6,8-difluoro-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6,8-difluoro-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine is CCCNC1CCS(=O)c2c(F)cc(F)cc21.
What is the InChIKey of 6,8-difluoro-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is BRFFYJGZKIGBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NOS/c1-2-4-15-11-3-5-17(16)12-9(11)6-8(13)7-10(12)14/h6-7,11,15H,2-5H2,1H3.
What are the key properties of 6,8-difluoro-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine?
6,8-difluoro-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 259.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 61288331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).