4-fluoro-6-nitro-1-benzothiophen-2-amine

C8H5FN2O2S — CID 131014714

IUPAC4-fluoro-6-nitro-1-benzothiophen-2-amine
SMILESNc1cc2c(F)cc([N+](=O)[O-])cc2s1
InChIInChI=1S/C8H5FN2O2S/c9-6-1-4(11(12)13)2-7-5(6)3-8(10)14-7/h1-3H,10H2
InChIKeyZSUUUGFWXZAWIP-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.53
Rot. Bonds1

About 4-fluoro-6-nitro-1-benzothiophen-2-amine

4-fluoro-6-nitro-1-benzothiophen-2-amine (PubChem CID 131014714) has the molecular formula C8H5FN2O2S and a molecular weight of 212.21 g/mol. Its IUPAC name is 4-fluoro-6-nitro-1-benzothiophen-2-amine.

Molecular Properties

Compound Name4-fluoro-6-nitro-1-benzothiophen-2-amine
PubChem CID131014714
Molecular FormulaC8H5FN2O2S
Molecular Weight212.21 g/mol
Exact Mass212.01
IUPAC Name4-fluoro-6-nitro-1-benzothiophen-2-amine
SMILESNc1cc2c(F)cc([N+](=O)[O-])cc2s1
InChIInChI=1S/C8H5FN2O2S/c9-6-1-4(11(12)13)2-7-5(6)3-8(10)14-7/h1-3H,10H2
InChIKeyZSUUUGFWXZAWIP-UHFFFAOYSA-N
XLogP2.53
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-nitro-1-benzothiophene-2,6-diamine
CID 130925410
1,3-difluoro-2-methoxy-5-nitrobenzene
CID 605060
3-fluoro-7-nitrodibenzothiophene
CID 54152265
O-[(3-fluoro-2-methoxy-5-nitrophenyl)methyl]hydroxylamine
CID 117307657
1-fluoro-2-methoxy-3-methyl-5-nitrobenzene
CID 131014124
4-fluoro-6-methyl-2-nitro-1-benzothiophene
CID 130898234
1,3-difluoro-5-nitro-2-(trifluoromethyl)benzene
CID 57432868
2-amino-6-nitro-1-benzothiophene-3-carbonitrile
CID 14122311
3-chloro-4,5-difluoroaniline;1-chloro-2,3-difluoro-5-nitrobenzene
CID 159546994
2-(2,6-difluoro-4-nitrophenoxy)acetic acid
CID 18794292
1,2-dibromo-3-fluoro-5-nitrobenzene
CID 118841496
(2,3-difluoro-5-nitrophenyl)phosphane
CID 142842521

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-nitro-1-benzothiophen-2-amine?
The IUPAC name of 4-fluoro-6-nitro-1-benzothiophen-2-amine (CID 131014714) is 4-fluoro-6-nitro-1-benzothiophen-2-amine.
What is the SMILES notation for 4-fluoro-6-nitro-1-benzothiophen-2-amine?
The canonical SMILES for 4-fluoro-6-nitro-1-benzothiophen-2-amine is Nc1cc2c(F)cc([N+](=O)[O-])cc2s1.
What is the InChIKey of 4-fluoro-6-nitro-1-benzothiophen-2-amine?
The InChIKey is ZSUUUGFWXZAWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O2S/c9-6-1-4(11(12)13)2-7-5(6)3-8(10)14-7/h1-3H,10H2.
What are the key properties of 4-fluoro-6-nitro-1-benzothiophen-2-amine?
4-fluoro-6-nitro-1-benzothiophen-2-amine has a molecular weight of 212.21 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-nitro-1-benzothiophen-2-amine is sourced from PubChem (CID 131014714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).