2-fluoro-6-nitro-N-(thiophen-3-ylmethyl)aniline

C11H9FN2O2S — CID 81309803

IUPAC2-fluoro-6-nitro-N-(thiophen-3-ylmethyl)aniline
SMILESO=[N+]([O-])c1cccc(F)c1NCc1ccsc1
InChIInChI=1S/C11H9FN2O2S/c12-9-2-1-3-10(14(15)16)11(9)13-6-8-4-5-17-7-8/h1-5,7,13H,6H2
InChIKeyAFUUAOACGYXHON-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.41
Rot. Bonds4

About 2-fluoro-6-nitro-N-(thiophen-3-ylmethyl)aniline

2-fluoro-6-nitro-N-(thiophen-3-ylmethyl)aniline (PubChem CID 81309803) has the molecular formula C11H9FN2O2S and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-fluoro-6-nitro-N-(thiophen-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-6-nitro-N-(thiophen-3-ylmethyl)aniline
PubChem CID81309803
Molecular FormulaC11H9FN2O2S
Molecular Weight252.27 g/mol
Exact Mass252.04
IUPAC Name2-fluoro-6-nitro-N-(thiophen-3-ylmethyl)aniline
SMILESO=[N+]([O-])c1cccc(F)c1NCc1ccsc1
InChIInChI=1S/C11H9FN2O2S/c12-9-2-1-3-10(14(15)16)11(9)13-6-8-4-5-17-7-8/h1-5,7,13H,6H2
InChIKeyAFUUAOACGYXHON-UHFFFAOYSA-N
XLogP3.41
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.41
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-[(2-fluoro-6-nitroanilino)methyl]phenol
CID 81310612
N-[(3,4-difluorophenyl)methyl]-2-fluoro-6-nitroaniline
CID 81310605
2,6-difluoro-4-[(2-fluoro-6-nitroanilino)methyl]phenol
CID 81305609
N-[(3,5-dimethylphenyl)methyl]-2-fluoro-6-nitroaniline
CID 81310965
2-fluoro-N-[(3-methylthiophen-2-yl)methyl]-6-nitroaniline
CID 81310346
4-[(2-fluoro-6-nitroanilino)methyl]benzamide
CID 81306059
N-[(1-ethylpyrrol-3-yl)methyl]-2-fluoro-6-nitroaniline
CID 81310609
2-fluoro-5-[(2-fluoro-6-nitroanilino)methyl]benzonitrile
CID 107936238
5-fluoro-4-iodo-2-nitro-N-(thiophen-3-ylmethyl)aniline
CID 66100254
N-[(4-chlorothiophen-2-yl)methyl]-2-fluoro-6-nitroaniline
CID 81310529
3-nitro-N-(thiophen-3-ylmethyl)aniline
CID 43717961
N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-6-nitroaniline
CID 81310767

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-nitro-N-(thiophen-3-ylmethyl)aniline?
The IUPAC name of 2-fluoro-6-nitro-N-(thiophen-3-ylmethyl)aniline (CID 81309803) is 2-fluoro-6-nitro-N-(thiophen-3-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-6-nitro-N-(thiophen-3-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-6-nitro-N-(thiophen-3-ylmethyl)aniline is O=[N+]([O-])c1cccc(F)c1NCc1ccsc1.
What is the InChIKey of 2-fluoro-6-nitro-N-(thiophen-3-ylmethyl)aniline?
The InChIKey is AFUUAOACGYXHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2S/c12-9-2-1-3-10(14(15)16)11(9)13-6-8-4-5-17-7-8/h1-5,7,13H,6H2.
What are the key properties of 2-fluoro-6-nitro-N-(thiophen-3-ylmethyl)aniline?
2-fluoro-6-nitro-N-(thiophen-3-ylmethyl)aniline has a molecular weight of 252.27 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-nitro-N-(thiophen-3-ylmethyl)aniline is sourced from PubChem (CID 81309803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).