5-fluoro-2-(nitrosomethyl)-1-benzothiophene

C9H6FNOS — CID 123861234

IUPAC5-fluoro-2-(nitrosomethyl)-1-benzothiophene
SMILESO=NCc1cc2cc(F)ccc2s1
InChIInChI=1S/C9H6FNOS/c10-7-1-2-9-6(3-7)4-8(13-9)5-11-12/h1-4H,5H2
InChIKeyZREDPSBCEGPASG-UHFFFAOYSA-N
MW195.22 g/mol
LogP3.31
Rot. Bonds2

About 5-fluoro-2-(nitrosomethyl)-1-benzothiophene

5-fluoro-2-(nitrosomethyl)-1-benzothiophene (PubChem CID 123861234) has the molecular formula C9H6FNOS and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-fluoro-2-(nitrosomethyl)-1-benzothiophene.

Molecular Properties

Compound Name5-fluoro-2-(nitrosomethyl)-1-benzothiophene
PubChem CID123861234
Molecular FormulaC9H6FNOS
Molecular Weight195.22 g/mol
Exact Mass195.02
IUPAC Name5-fluoro-2-(nitrosomethyl)-1-benzothiophene
SMILESO=NCc1cc2cc(F)ccc2s1
InChIInChI=1S/C9H6FNOS/c10-7-1-2-9-6(3-7)4-8(13-9)5-11-12/h1-4H,5H2
InChIKeyZREDPSBCEGPASG-UHFFFAOYSA-N
XLogP3.31
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzothiophen-2-ylmethylamine
CID 237074
1-Benzothiophen-2-ylmethanamine hydrochloride
CID 16956075
(5-Fluoro-1-benzothiophen-2-yl)methanamine
CID 39869113
(5-Fluoro-1-benzothiophen-2-yl)methanamine hydrochloride
CID 42962700
(3-Methyl-1-benzothiophen-2-yl)methanamine
CID 67504872
1-(5-Fluoro-1-benzothiophen-3-yl)methanamine hydrochloride
CID 154857224
N-[1-(1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 3692736
N-[(1S)-1-(1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 10420133
1-(1-benzothiophen-2-yl)-N,N-dimethylmethanamine
CID 58591567
2-[(E)-2-Nitroethenyl]benzo[b]thiophene
CID 66801638
1-(5-Fluorobenzo[b]thiophen-2-yl)ethylamine
CID 18965411
N-[1-(5-fluoro-1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 19846311

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(nitrosomethyl)-1-benzothiophene?
The IUPAC name of 5-fluoro-2-(nitrosomethyl)-1-benzothiophene (CID 123861234) is 5-fluoro-2-(nitrosomethyl)-1-benzothiophene.
What is the SMILES notation for 5-fluoro-2-(nitrosomethyl)-1-benzothiophene?
The canonical SMILES for 5-fluoro-2-(nitrosomethyl)-1-benzothiophene is O=NCc1cc2cc(F)ccc2s1.
What is the InChIKey of 5-fluoro-2-(nitrosomethyl)-1-benzothiophene?
The InChIKey is ZREDPSBCEGPASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNOS/c10-7-1-2-9-6(3-7)4-8(13-9)5-11-12/h1-4H,5H2.
What are the key properties of 5-fluoro-2-(nitrosomethyl)-1-benzothiophene?
5-fluoro-2-(nitrosomethyl)-1-benzothiophene has a molecular weight of 195.22 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(nitrosomethyl)-1-benzothiophene is sourced from PubChem (CID 123861234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).