(R)-(2-fluoro-5-nitrophenyl)-thiophen-3-ylmethanamine

C11H9FN2O2S — CID 171225553

IUPAC(R)-(2-fluoro-5-nitrophenyl)-thiophen-3-ylmethanamine
SMILESN[C@@H](c1ccsc1)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C11H9FN2O2S/c12-10-2-1-8(14(15)16)5-9(10)11(13)7-3-4-17-6-7/h1-6,11H,13H2/t11-/m0/s1
InChIKeySUFHVPFZYYZSAQ-NSHDSACASA-N
MW252.27 g/mol
LogP2.84
Rot. Bonds3

About (R)-(2-fluoro-5-nitrophenyl)-thiophen-3-ylmethanamine

(R)-(2-fluoro-5-nitrophenyl)-thiophen-3-ylmethanamine (PubChem CID 171225553) has the molecular formula C11H9FN2O2S and a molecular weight of 252.27 g/mol. Its IUPAC name is (R)-(2-fluoro-5-nitrophenyl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(R)-(2-fluoro-5-nitrophenyl)-thiophen-3-ylmethanamine
PubChem CID171225553
Molecular FormulaC11H9FN2O2S
Molecular Weight252.27 g/mol
Exact Mass252.04
IUPAC Name(R)-(2-fluoro-5-nitrophenyl)-thiophen-3-ylmethanamine
SMILESN[C@@H](c1ccsc1)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C11H9FN2O2S/c12-10-2-1-8(14(15)16)5-9(10)11(13)7-3-4-17-6-7/h1-6,11H,13H2/t11-/m0/s1
InChIKeySUFHVPFZYYZSAQ-NSHDSACASA-N
XLogP2.84
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.84
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

(S)-(4-nitrophenyl)-thiophen-3-ylmethanamine
CID 171198265
(S)-(5-fluoro-2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171206031
(R)-(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220162
2-[(R)-amino(thiophen-3-yl)methyl]-6-methoxy-4-nitrophenol;hydrochloride
CID 171236006
(R)-(2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171217826
(2-fluorophenyl)-thiophen-3-ylmethanamine
CID 62502632
(1S)-2,2,2-trifluoro-1-(2-fluoro-5-nitrophenyl)ethanamine
CID 66511161
(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine
CID 171216255
(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171216256
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-nitrobenzamide
CID 106434940
(S)-(5-nitrothiophen-3-yl)-thiophen-3-ylmethanamine;hydrochloride
CID 171236339
(R)-(6-nitro-1,3-benzodioxol-5-yl)-thiophen-3-ylmethanamine;hydrochloride
CID 171228084

Frequently Asked Questions

What is the IUPAC name of (R)-(2-fluoro-5-nitrophenyl)-thiophen-3-ylmethanamine?
The IUPAC name of (R)-(2-fluoro-5-nitrophenyl)-thiophen-3-ylmethanamine (CID 171225553) is (R)-(2-fluoro-5-nitrophenyl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (R)-(2-fluoro-5-nitrophenyl)-thiophen-3-ylmethanamine?
The canonical SMILES for (R)-(2-fluoro-5-nitrophenyl)-thiophen-3-ylmethanamine is N[C@@H](c1ccsc1)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of (R)-(2-fluoro-5-nitrophenyl)-thiophen-3-ylmethanamine?
The InChIKey is SUFHVPFZYYZSAQ-NSHDSACASA-N. The full InChI is InChI=1S/C11H9FN2O2S/c12-10-2-1-8(14(15)16)5-9(10)11(13)7-3-4-17-6-7/h1-6,11H,13H2/t11-/m0/s1.
What are the key properties of (R)-(2-fluoro-5-nitrophenyl)-thiophen-3-ylmethanamine?
(R)-(2-fluoro-5-nitrophenyl)-thiophen-3-ylmethanamine has a molecular weight of 252.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-fluoro-5-nitrophenyl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 171225553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).