6-(difluoromethyl)-5-fluoro-1H-benzimidazole

C8H5F3N2 — CID 131115762

IUPAC6-(difluoromethyl)-5-fluoro-1H-benzimidazole
SMILESFc1cc2nc[nH]c2cc1C(F)F
InChIInChI=1S/C8H5F3N2/c9-5-2-7-6(12-3-13-7)1-4(5)8(10)11/h1-3,8H,(H,12,13)
InChIKeyXBXYVKPBACIOQS-UHFFFAOYSA-N
MW186.14 g/mol
LogP2.64
Rot. Bonds1

About 6-(difluoromethyl)-5-fluoro-1H-benzimidazole

6-(difluoromethyl)-5-fluoro-1H-benzimidazole (PubChem CID 131115762) has the molecular formula C8H5F3N2 and a molecular weight of 186.14 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name6-(difluoromethyl)-5-fluoro-1H-benzimidazole
PubChem CID131115762
Molecular FormulaC8H5F3N2
Molecular Weight186.14 g/mol
Exact Mass186.04
IUPAC Name6-(difluoromethyl)-5-fluoro-1H-benzimidazole
SMILESFc1cc2nc[nH]c2cc1C(F)F
InChIInChI=1S/C8H5F3N2/c9-5-2-7-6(12-3-13-7)1-4(5)8(10)11/h1-3,8H,(H,12,13)
InChIKeyXBXYVKPBACIOQS-UHFFFAOYSA-N
XLogP2.64
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(difluoromethyl)-1H-benzimidazol-5-ol
CID 130882278
6-(difluoromethyl)-1H-benzimidazole-5-carbonitrile
CID 130882495
ethane;5-fluoro-6-methyl-1H-benzimidazole
CID 162381699
6-(hydroxymethyl)-1H-benzimidazol-5-ol
CID 130998540
N-(2,2-difluoroethyl)-6-fluoro-1H-benzimidazole-5-carboxamide
CID 166323719
[7-(difluoromethyl)-3H-benzimidazol-5-yl]methanol
CID 130777663
(6-chloro-3H-benzimidazol-5-yl)methanol
CID 130882807
4-(difluoromethyl)-6-iodo-1H-benzimidazole
CID 130952734
5-(hydroxydisulfanyl)-6-propan-2-yl-1H-benzimidazole
CID 22975284
2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole
CID 11041715
1H-benzimidazole-5,6-dicarbonitrile
CID 15406304
1,5,6,7,8,9-hexahydroimidazo[4,5-h][3]benzazepine
CID 46873419

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-fluoro-1H-benzimidazole?
The IUPAC name of 6-(difluoromethyl)-5-fluoro-1H-benzimidazole (CID 131115762) is 6-(difluoromethyl)-5-fluoro-1H-benzimidazole.
What is the SMILES notation for 6-(difluoromethyl)-5-fluoro-1H-benzimidazole?
The canonical SMILES for 6-(difluoromethyl)-5-fluoro-1H-benzimidazole is Fc1cc2nc[nH]c2cc1C(F)F.
What is the InChIKey of 6-(difluoromethyl)-5-fluoro-1H-benzimidazole?
The InChIKey is XBXYVKPBACIOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2/c9-5-2-7-6(12-3-13-7)1-4(5)8(10)11/h1-3,8H,(H,12,13).
What are the key properties of 6-(difluoromethyl)-5-fluoro-1H-benzimidazole?
6-(difluoromethyl)-5-fluoro-1H-benzimidazole has a molecular weight of 186.14 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-fluoro-1H-benzimidazole is sourced from PubChem (CID 131115762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).