N-ethyl-5,6-difluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine

C10H11F2NOS — CID 82234885

IUPACN-ethyl-5,6-difluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCNC1CS(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C10H11F2NOS/c1-2-13-9-5-15(14)10-4-8(12)7(11)3-6(9)10/h3-4,9,13H,2,5H2,1H3
InChIKeyWJODZEVWWXPAIW-UHFFFAOYSA-N
MW231.27 g/mol
LogP1.74
Rot. Bonds2

About N-ethyl-5,6-difluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine

N-ethyl-5,6-difluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 82234885) has the molecular formula C10H11F2NOS and a molecular weight of 231.27 g/mol. Its IUPAC name is N-ethyl-5,6-difluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-ethyl-5,6-difluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID82234885
Molecular FormulaC10H11F2NOS
Molecular Weight231.27 g/mol
Exact Mass231.05
IUPAC NameN-ethyl-5,6-difluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCNC1CS(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C10H11F2NOS/c1-2-13-9-5-15(14)10-4-8(12)7(11)3-6(9)10/h3-4,9,13H,2,5H2,1H3
InChIKeyWJODZEVWWXPAIW-UHFFFAOYSA-N
XLogP1.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-7-fluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine
CID 82234882
1-oxo-N-propyl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzothiol-3-amine
CID 114992840
N-ethyl-6-oxo-2,3,7,8,9,10-hexahydrothiepino[2,3-g][1,4]benzodioxin-10-amine
CID 115478780
N-ethyl-6,8-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
CID 61288330
5,6-difluoro-1,1-dioxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine
CID 43539550
6,7-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
CID 61288327
N-ethyl-5,8-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
CID 61287512
N-ethyl-6,9-difluoro-1-oxo-2,3,4,5-tetrahydro-1λ4-benzothiepin-5-amine
CID 61287924
6,7-difluoro-2,3-dimethyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 79414565
3-(ethylamino)-5,6-difluoro-1,3-dihydroindol-2-one
CID 82235271
5-bromo-N-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine
CID 115410640
6,8-difluoro-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 61288331

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,6-difluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-ethyl-5,6-difluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine (CID 82234885) is N-ethyl-5,6-difluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-ethyl-5,6-difluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-ethyl-5,6-difluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine is CCNC1CS(=O)c2cc(F)c(F)cc21.
What is the InChIKey of N-ethyl-5,6-difluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is WJODZEVWWXPAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NOS/c1-2-13-9-5-15(14)10-4-8(12)7(11)3-6(9)10/h3-4,9,13H,2,5H2,1H3.
What are the key properties of N-ethyl-5,6-difluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine?
N-ethyl-5,6-difluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 231.27 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,6-difluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 82234885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).