2-[(2,3,4,5,6-pentafluoroanilino)methyl]thiophen-3-amine

C11H7F5N2S — CID 115564219

IUPAC2-[(2,3,4,5,6-pentafluoroanilino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H7F5N2S/c12-6-7(13)9(15)11(10(16)8(6)14)18-3-5-4(17)1-2-19-5/h1-2,18H,3,17H2
InChIKeyJWPAYJNERLVLMG-UHFFFAOYSA-N
MW294.25 g/mol
LogP3.64
Rot. Bonds3

About 2-[(2,3,4,5,6-pentafluoroanilino)methyl]thiophen-3-amine

2-[(2,3,4,5,6-pentafluoroanilino)methyl]thiophen-3-amine (PubChem CID 115564219) has the molecular formula C11H7F5N2S and a molecular weight of 294.25 g/mol. Its IUPAC name is 2-[(2,3,4,5,6-pentafluoroanilino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(2,3,4,5,6-pentafluoroanilino)methyl]thiophen-3-amine
PubChem CID115564219
Molecular FormulaC11H7F5N2S
Molecular Weight294.25 g/mol
Exact Mass294.03
IUPAC Name2-[(2,3,4,5,6-pentafluoroanilino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H7F5N2S/c12-6-7(13)9(15)11(10(16)8(6)14)18-3-5-4(17)1-2-19-5/h1-2,18H,3,17H2
InChIKeyJWPAYJNERLVLMG-UHFFFAOYSA-N
XLogP3.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[(3,5-dichloro-4-fluoroanilino)methyl]thiophen-3-amine
CID 107572996
2-[(2,4,6-tribromoanilino)methyl]thiophen-3-amine
CID 66385925
2-[(2,5-difluoroanilino)methyl]thiophen-3-amine
CID 66387497
2-[(3-chloro-4-fluoroanilino)methyl]thiophen-3-amine
CID 66387522
2-[[(2-methylthiophen-3-yl)amino]methyl]thiophen-3-amine
CID 134839997
2-[(4-chloroanilino)methyl]thiophen-3-amine
CID 66386898
2-[[(4-fluorophenyl)methylamino]methyl]thiophen-3-amine
CID 66387899
2-[(4-tert-butylanilino)methyl]thiophen-3-amine
CID 66385089
2-[[4-methyl-3-(trifluoromethyl)anilino]methyl]thiophen-3-amine
CID 66387792
5-[(3-aminothiophen-2-yl)methylamino]-2,4-difluorobenzamide
CID 66387532
2-[(3-propan-2-ylanilino)methyl]thiophen-3-amine
CID 66386115
N-[(3-aminothiophen-2-yl)methyl]-5-chloro-2,1,3-benzothiadiazol-4-amine
CID 66387617

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,4,5,6-pentafluoroanilino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(2,3,4,5,6-pentafluoroanilino)methyl]thiophen-3-amine (CID 115564219) is 2-[(2,3,4,5,6-pentafluoroanilino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(2,3,4,5,6-pentafluoroanilino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(2,3,4,5,6-pentafluoroanilino)methyl]thiophen-3-amine is Nc1ccsc1CNc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-[(2,3,4,5,6-pentafluoroanilino)methyl]thiophen-3-amine?
The InChIKey is JWPAYJNERLVLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F5N2S/c12-6-7(13)9(15)11(10(16)8(6)14)18-3-5-4(17)1-2-19-5/h1-2,18H,3,17H2.
What are the key properties of 2-[(2,3,4,5,6-pentafluoroanilino)methyl]thiophen-3-amine?
2-[(2,3,4,5,6-pentafluoroanilino)methyl]thiophen-3-amine has a molecular weight of 294.25 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,4,5,6-pentafluoroanilino)methyl]thiophen-3-amine is sourced from PubChem (CID 115564219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).