2-(1,1,2,2-tetrafluoroethyl)-3H-benzimidazole-5-carbonitrile

C10H5F4N3 — CID 79660838

IUPAC2-(1,1,2,2-tetrafluoroethyl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(C(F)(F)C(F)F)[nH]c2c1
InChIInChI=1S/C10H5F4N3/c11-8(12)10(13,14)9-16-6-2-1-5(4-15)3-7(6)17-9/h1-3,8H,(H,16,17)
InChIKeyKSXGTTYUGWEPKU-UHFFFAOYSA-N
MW243.16 g/mol
LogP2.79
Rot. Bonds2

About 2-(1,1,2,2-tetrafluoroethyl)-3H-benzimidazole-5-carbonitrile

2-(1,1,2,2-tetrafluoroethyl)-3H-benzimidazole-5-carbonitrile (PubChem CID 79660838) has the molecular formula C10H5F4N3 and a molecular weight of 243.16 g/mol. Its IUPAC name is 2-(1,1,2,2-tetrafluoroethyl)-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(1,1,2,2-tetrafluoroethyl)-3H-benzimidazole-5-carbonitrile
PubChem CID79660838
Molecular FormulaC10H5F4N3
Molecular Weight243.16 g/mol
Exact Mass243.04
IUPAC Name2-(1,1,2,2-tetrafluoroethyl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(C(F)(F)C(F)F)[nH]c2c1
InChIInChI=1S/C10H5F4N3/c11-8(12)10(13,14)9-16-6-2-1-5(4-15)3-7(6)17-9/h1-3,8H,(H,16,17)
InChIKeyKSXGTTYUGWEPKU-UHFFFAOYSA-N
XLogP2.79
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.16
LogP ≤ 52.79
H-Bond Donors ≤ 51
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-tetrafluoroethyl)-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-(1,1,2,2-tetrafluoroethyl)-3H-benzimidazole-5-carbonitrile (CID 79660838) is 2-(1,1,2,2-tetrafluoroethyl)-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(1,1,2,2-tetrafluoroethyl)-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-(1,1,2,2-tetrafluoroethyl)-3H-benzimidazole-5-carbonitrile is N#Cc1ccc2nc(C(F)(F)C(F)F)[nH]c2c1.
What is the InChIKey of 2-(1,1,2,2-tetrafluoroethyl)-3H-benzimidazole-5-carbonitrile?
The InChIKey is KSXGTTYUGWEPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F4N3/c11-8(12)10(13,14)9-16-6-2-1-5(4-15)3-7(6)17-9/h1-3,8H,(H,16,17).
What are the key properties of 2-(1,1,2,2-tetrafluoroethyl)-3H-benzimidazole-5-carbonitrile?
2-(1,1,2,2-tetrafluoroethyl)-3H-benzimidazole-5-carbonitrile has a molecular weight of 243.16 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2-tetrafluoroethyl)-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 79660838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).