N-ethyl-7-fluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine

C10H12FNOS — CID 82234882

IUPACN-ethyl-7-fluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCNC1CS(=O)c2c(F)cccc21
InChIInChI=1S/C10H12FNOS/c1-2-12-9-6-14(13)10-7(9)4-3-5-8(10)11/h3-5,9,12H,2,6H2,1H3
InChIKeyFIOHRFWOOKNFKM-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.60
Rot. Bonds2

About N-ethyl-7-fluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine

N-ethyl-7-fluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 82234882) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is N-ethyl-7-fluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-ethyl-7-fluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID82234882
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC NameN-ethyl-7-fluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCNC1CS(=O)c2c(F)cccc21
InChIInChI=1S/C10H12FNOS/c1-2-12-9-6-14(13)10-7(9)4-3-5-8(10)11/h3-5,9,12H,2,6H2,1H3
InChIKeyFIOHRFWOOKNFKM-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-5,6-difluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine
CID 82234885
N-ethyl-8-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
CID 61288732
N,2-diethyl-7-fluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine
CID 64660631
7-methoxy-1-oxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine
CID 82238176
8-fluoro-2-methyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 61289304
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
N-ethyl-6,8-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
CID 61288330
N-ethyl-9-fluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-amine
CID 43539246
N-ethyl-9-fluoro-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 82886475
3-(2,6-difluorophenyl)-N-ethylcyclopentan-1-amine
CID 64504263
8-bromo-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 61289511

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-fluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-ethyl-7-fluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine (CID 82234882) is N-ethyl-7-fluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-ethyl-7-fluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-ethyl-7-fluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine is CCNC1CS(=O)c2c(F)cccc21.
What is the InChIKey of N-ethyl-7-fluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is FIOHRFWOOKNFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS/c1-2-12-9-6-14(13)10-7(9)4-3-5-8(10)11/h3-5,9,12H,2,6H2,1H3.
What are the key properties of N-ethyl-7-fluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine?
N-ethyl-7-fluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 213.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-fluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 82234882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).