2,2-difluoro-1,3-dihydrofuro[2,3-f]benzimidazole-6-thiol

C9H6F2N2OS — CID 70465984

IUPAC2,2-difluoro-1,3-dihydrofuro[2,3-f]benzimidazole-6-thiol
SMILESFC1(F)Nc2cc3cc(S)oc3cc2N1
InChIInChI=1S/C9H6F2N2OS/c10-9(11)12-5-1-4-2-8(15)14-7(4)3-6(5)13-9/h1-3,12-13,15H
InChIKeyPTLPJVQBQLVQAM-UHFFFAOYSA-N
MW228.22 g/mol
LogP3.11
Rot. Bonds

About 2,2-difluoro-1,3-dihydrofuro[2,3-f]benzimidazole-6-thiol

2,2-difluoro-1,3-dihydrofuro[2,3-f]benzimidazole-6-thiol (PubChem CID 70465984) has the molecular formula C9H6F2N2OS and a molecular weight of 228.22 g/mol. Its IUPAC name is 2,2-difluoro-1,3-dihydrofuro[2,3-f]benzimidazole-6-thiol.

Molecular Properties

Compound Name2,2-difluoro-1,3-dihydrofuro[2,3-f]benzimidazole-6-thiol
PubChem CID70465984
Molecular FormulaC9H6F2N2OS
Molecular Weight228.22 g/mol
Exact Mass228.02
IUPAC Name2,2-difluoro-1,3-dihydrofuro[2,3-f]benzimidazole-6-thiol
SMILESFC1(F)Nc2cc3cc(S)oc3cc2N1
InChIInChI=1S/C9H6F2N2OS/c10-9(11)12-5-1-4-2-8(15)14-7(4)3-6(5)13-9/h1-3,12-13,15H
InChIKeyPTLPJVQBQLVQAM-UHFFFAOYSA-N
XLogP3.11
TPSA37.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1,3-dihydrofuro[2,3-f]benzimidazole-6-thiol?
The IUPAC name of 2,2-difluoro-1,3-dihydrofuro[2,3-f]benzimidazole-6-thiol (CID 70465984) is 2,2-difluoro-1,3-dihydrofuro[2,3-f]benzimidazole-6-thiol.
What is the SMILES notation for 2,2-difluoro-1,3-dihydrofuro[2,3-f]benzimidazole-6-thiol?
The canonical SMILES for 2,2-difluoro-1,3-dihydrofuro[2,3-f]benzimidazole-6-thiol is FC1(F)Nc2cc3cc(S)oc3cc2N1.
What is the InChIKey of 2,2-difluoro-1,3-dihydrofuro[2,3-f]benzimidazole-6-thiol?
The InChIKey is PTLPJVQBQLVQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2OS/c10-9(11)12-5-1-4-2-8(15)14-7(4)3-6(5)13-9/h1-3,12-13,15H.
What are the key properties of 2,2-difluoro-1,3-dihydrofuro[2,3-f]benzimidazole-6-thiol?
2,2-difluoro-1,3-dihydrofuro[2,3-f]benzimidazole-6-thiol has a molecular weight of 228.22 g/mol, XLogP of 3.11, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1,3-dihydrofuro[2,3-f]benzimidazole-6-thiol is sourced from PubChem (CID 70465984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).