2-fluoro-6-(trifluoromethyl)-1H-benzimidazole

C8H4F4N2 — CID 131028936

IUPAC2-fluoro-6-(trifluoromethyl)-1H-benzimidazole
SMILESFc1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C8H4F4N2/c9-7-13-5-2-1-4(8(10,11)12)3-6(5)14-7/h1-3H,(H,13,14)
InChIKeyLANMYIBYFWSISG-UHFFFAOYSA-N
MW204.13 g/mol
LogP2.72
Rot. Bonds

About 2-fluoro-6-(trifluoromethyl)-1H-benzimidazole

2-fluoro-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 131028936) has the molecular formula C8H4F4N2 and a molecular weight of 204.13 g/mol. Its IUPAC name is 2-fluoro-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-fluoro-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID131028936
Molecular FormulaC8H4F4N2
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name2-fluoro-6-(trifluoromethyl)-1H-benzimidazole
SMILESFc1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C8H4F4N2/c9-7-13-5-2-1-4(8(10,11)12)3-6(5)14-7/h1-3H,(H,13,14)
InChIKeyLANMYIBYFWSISG-UHFFFAOYSA-N
XLogP2.72
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-fluoro-6-(trifluoromethyl)-1H-benzimidazole (CID 131028936) is 2-fluoro-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-fluoro-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-fluoro-6-(trifluoromethyl)-1H-benzimidazole is Fc1nc2ccc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 2-fluoro-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is LANMYIBYFWSISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4N2/c9-7-13-5-2-1-4(8(10,11)12)3-6(5)14-7/h1-3H,(H,13,14).
What are the key properties of 2-fluoro-6-(trifluoromethyl)-1H-benzimidazole?
2-fluoro-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 204.13 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 131028936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).