[2-(1,1,2,2,2-pentafluoroethyl)-3H-benzimidazol-5-yl]methanamine

C10H8F5N3 — CID 79004482

IUPAC[2-(1,1,2,2,2-pentafluoroethyl)-3H-benzimidazol-5-yl]methanamine
SMILESNCc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1
InChIInChI=1S/C10H8F5N3/c11-9(12,10(13,14)15)8-17-6-2-1-5(4-16)3-7(6)18-8/h1-3H,4,16H2,(H,17,18)
InChIKeyCUUYCMGRYOLFOQ-UHFFFAOYSA-N
MW265.19 g/mol
LogP2.68
Rot. Bonds2

About [2-(1,1,2,2,2-pentafluoroethyl)-3H-benzimidazol-5-yl]methanamine

[2-(1,1,2,2,2-pentafluoroethyl)-3H-benzimidazol-5-yl]methanamine (PubChem CID 79004482) has the molecular formula C10H8F5N3 and a molecular weight of 265.19 g/mol. Its IUPAC name is [2-(1,1,2,2,2-pentafluoroethyl)-3H-benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1,1,2,2,2-pentafluoroethyl)-3H-benzimidazol-5-yl]methanamine
PubChem CID79004482
Molecular FormulaC10H8F5N3
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Name[2-(1,1,2,2,2-pentafluoroethyl)-3H-benzimidazol-5-yl]methanamine
SMILESNCc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1
InChIInChI=1S/C10H8F5N3/c11-9(12,10(13,14)15)8-17-6-2-1-5(4-16)3-7(6)18-8/h1-3H,4,16H2,(H,17,18)
InChIKeyCUUYCMGRYOLFOQ-UHFFFAOYSA-N
XLogP2.68
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(1,1,2,2,2-pentafluoroethyl)-3H-benzimidazol-5-yl]methanamine?
The IUPAC name of [2-(1,1,2,2,2-pentafluoroethyl)-3H-benzimidazol-5-yl]methanamine (CID 79004482) is [2-(1,1,2,2,2-pentafluoroethyl)-3H-benzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(1,1,2,2,2-pentafluoroethyl)-3H-benzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(1,1,2,2,2-pentafluoroethyl)-3H-benzimidazol-5-yl]methanamine is NCc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1.
What is the InChIKey of [2-(1,1,2,2,2-pentafluoroethyl)-3H-benzimidazol-5-yl]methanamine?
The InChIKey is CUUYCMGRYOLFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5N3/c11-9(12,10(13,14)15)8-17-6-2-1-5(4-16)3-7(6)18-8/h1-3H,4,16H2,(H,17,18).
What are the key properties of [2-(1,1,2,2,2-pentafluoroethyl)-3H-benzimidazol-5-yl]methanamine?
[2-(1,1,2,2,2-pentafluoroethyl)-3H-benzimidazol-5-yl]methanamine has a molecular weight of 265.19 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1,2,2,2-pentafluoroethyl)-3H-benzimidazol-5-yl]methanamine is sourced from PubChem (CID 79004482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).