(S)-(5-fluoro-2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride

C11H10ClFN2O2S — CID 171206031

IUPAC(S)-(5-fluoro-2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1ccsc1)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H9FN2O2S.ClH/c12-8-1-2-10(14(15)16)9(5-8)11(13)7-3-4-17-6-7;/h1-6,11H,13H2;1H/t11-;/m1./s1
InChIKeyOIMOKYWIAWTUBB-RFVHGSKJSA-N
MW288.73 g/mol
LogP3.27
Rot. Bonds3

About (S)-(5-fluoro-2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride

(S)-(5-fluoro-2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 171206031) has the molecular formula C11H10ClFN2O2S and a molecular weight of 288.73 g/mol. Its IUPAC name is (S)-(5-fluoro-2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(5-fluoro-2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride
PubChem CID171206031
Molecular FormulaC11H10ClFN2O2S
Molecular Weight288.73 g/mol
Exact Mass288.01
IUPAC Name(S)-(5-fluoro-2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1ccsc1)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H9FN2O2S.ClH/c12-8-1-2-10(14(15)16)9(5-8)11(13)7-3-4-17-6-7;/h1-6,11H,13H2;1H/t11-;/m1./s1
InChIKeyOIMOKYWIAWTUBB-RFVHGSKJSA-N
XLogP3.27
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.27
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

(R)-(2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171217826
(S)-(5-fluoro-2-nitrophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171206029
(R)-(6-nitro-1,3-benzodioxol-5-yl)-thiophen-3-ylmethanamine;hydrochloride
CID 171228084
(R)-(2-fluoro-5-nitrophenyl)-thiophen-3-ylmethanamine
CID 171225553
(1S)-2,2-difluoro-1-(5-fluoro-2-nitrophenyl)ethanamine;hydrochloride
CID 171248349
(R)-[5-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171228701
(1R)-1-(5-fluoro-2-nitrophenyl)prop-2-en-1-amine;hydrochloride
CID 171206003
(R)-(4-methyl-3-nitrophenyl)-thiophen-3-ylmethanamine
CID 171226532
(1S)-2,2,2-trifluoro-1-(5-fluoro-2-nitrophenyl)ethanamine
CID 66510268
(S)-(5-nitrothiophen-3-yl)-thiophen-3-ylmethanamine;hydrochloride
CID 171236339
(1R)-3,3-difluoro-1-(5-fluoro-2-nitrophenyl)propan-1-amine;hydrochloride
CID 171313687
(1S)-1-(5-fluoro-2-nitrophenyl)-2,2-dimethylpropan-1-amine
CID 131466473

Frequently Asked Questions

What is the IUPAC name of (S)-(5-fluoro-2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of (S)-(5-fluoro-2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride (CID 171206031) is (S)-(5-fluoro-2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(5-fluoro-2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for (S)-(5-fluoro-2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride is Cl.N[C@H](c1ccsc1)c1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of (S)-(5-fluoro-2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is OIMOKYWIAWTUBB-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H9FN2O2S.ClH/c12-8-1-2-10(14(15)16)9(5-8)11(13)7-3-4-17-6-7;/h1-6,11H,13H2;1H/t11-;/m1./s1.
What are the key properties of (S)-(5-fluoro-2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride?
(S)-(5-fluoro-2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride has a molecular weight of 288.73 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(5-fluoro-2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 171206031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).