3,5-difluoro-2-nitro-N-(thiophen-3-ylmethyl)aniline

C11H8F2N2O2S — CID 113325525

IUPAC3,5-difluoro-2-nitro-N-(thiophen-3-ylmethyl)aniline
SMILESO=[N+]([O-])c1c(F)cc(F)cc1NCc1ccsc1
InChIInChI=1S/C11H8F2N2O2S/c12-8-3-9(13)11(15(16)17)10(4-8)14-5-7-1-2-18-6-7/h1-4,6,14H,5H2
InChIKeyLWFZEZVNMANTCW-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.55
Rot. Bonds4

About 3,5-difluoro-2-nitro-N-(thiophen-3-ylmethyl)aniline

3,5-difluoro-2-nitro-N-(thiophen-3-ylmethyl)aniline (PubChem CID 113325525) has the molecular formula C11H8F2N2O2S and a molecular weight of 270.26 g/mol. Its IUPAC name is 3,5-difluoro-2-nitro-N-(thiophen-3-ylmethyl)aniline.

Molecular Properties

Compound Name3,5-difluoro-2-nitro-N-(thiophen-3-ylmethyl)aniline
PubChem CID113325525
Molecular FormulaC11H8F2N2O2S
Molecular Weight270.26 g/mol
Exact Mass270.03
IUPAC Name3,5-difluoro-2-nitro-N-(thiophen-3-ylmethyl)aniline
SMILESO=[N+]([O-])c1c(F)cc(F)cc1NCc1ccsc1
InChIInChI=1S/C11H8F2N2O2S/c12-8-3-9(13)11(15(16)17)10(4-8)14-5-7-1-2-18-6-7/h1-4,6,14H,5H2
InChIKeyLWFZEZVNMANTCW-UHFFFAOYSA-N
XLogP3.55
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.55
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

3,5-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 115506987
5-fluoro-4-iodo-2-nitro-N-(thiophen-3-ylmethyl)aniline
CID 66100254
2-[(3,5-difluoro-2-nitroanilino)methyl]phenol
CID 114332681
2-fluoro-5-methoxy-4-nitro-N-(thiophen-3-ylmethyl)aniline
CID 103883268
3,5-difluoro-N-[(3-methoxyphenyl)methyl]-2-nitroaniline
CID 115507748
3,5-difluoro-2-nitro-N-(2-phenylethyl)aniline
CID 115507690
2-fluoro-6-nitro-N-(thiophen-3-ylmethyl)aniline
CID 81309803
2-bromo-4-nitro-N-(thiophen-3-ylmethyl)aniline
CID 43742266
5-bromo-2-nitro-N-(thiophen-3-ylmethyl)aniline
CID 65343552
N'-(3,5-difluoro-2-nitrophenyl)-N-methylethane-1,2-diamine
CID 115509718
N'-(3,5-difluoro-2-nitrophenyl)propane-1,3-diamine
CID 115507547
3,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]-2-nitroaniline
CID 82873420

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-nitro-N-(thiophen-3-ylmethyl)aniline?
The IUPAC name of 3,5-difluoro-2-nitro-N-(thiophen-3-ylmethyl)aniline (CID 113325525) is 3,5-difluoro-2-nitro-N-(thiophen-3-ylmethyl)aniline.
What is the SMILES notation for 3,5-difluoro-2-nitro-N-(thiophen-3-ylmethyl)aniline?
The canonical SMILES for 3,5-difluoro-2-nitro-N-(thiophen-3-ylmethyl)aniline is O=[N+]([O-])c1c(F)cc(F)cc1NCc1ccsc1.
What is the InChIKey of 3,5-difluoro-2-nitro-N-(thiophen-3-ylmethyl)aniline?
The InChIKey is LWFZEZVNMANTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O2S/c12-8-3-9(13)11(15(16)17)10(4-8)14-5-7-1-2-18-6-7/h1-4,6,14H,5H2.
What are the key properties of 3,5-difluoro-2-nitro-N-(thiophen-3-ylmethyl)aniline?
3,5-difluoro-2-nitro-N-(thiophen-3-ylmethyl)aniline has a molecular weight of 270.26 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-nitro-N-(thiophen-3-ylmethyl)aniline is sourced from PubChem (CID 113325525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).