[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-fluorobenzoate

C16H11F3N2O2 — CID 16610084

IUPAC[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-fluorobenzoate
SMILESO=C(OCc1nc2ccccc2n1C(F)F)c1ccc(F)cc1
InChIInChI=1S/C16H11F3N2O2/c17-11-7-5-10(6-8-11)15(22)23-9-14-20-12-3-1-2-4-13(12)21(14)16(18)19/h1-8,16H,9H2
InChIKeyFFAKKHYEFYLRTC-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.93
Rot. Bonds4

About [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-fluorobenzoate

[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-fluorobenzoate (PubChem CID 16610084) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-fluorobenzoate.

Molecular Properties

Compound Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-fluorobenzoate
PubChem CID16610084
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-fluorobenzoate
SMILESO=C(OCc1nc2ccccc2n1C(F)F)c1ccc(F)cc1
InChIInChI=1S/C16H11F3N2O2/c17-11-7-5-10(6-8-11)15(22)23-9-14-20-12-3-1-2-4-13(12)21(14)16(18)19/h1-8,16H,9H2
InChIKeyFFAKKHYEFYLRTC-UHFFFAOYSA-N
XLogP3.93
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-fluorobenzoate?
The IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-fluorobenzoate (CID 16610084) is [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-fluorobenzoate.
What is the SMILES notation for [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-fluorobenzoate?
The canonical SMILES for [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-fluorobenzoate is O=C(OCc1nc2ccccc2n1C(F)F)c1ccc(F)cc1.
What is the InChIKey of [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-fluorobenzoate?
The InChIKey is FFAKKHYEFYLRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c17-11-7-5-10(6-8-11)15(22)23-9-14-20-12-3-1-2-4-13(12)21(14)16(18)19/h1-8,16H,9H2.
What are the key properties of [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-fluorobenzoate?
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-fluorobenzoate has a molecular weight of 320.27 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-fluorobenzoate is sourced from PubChem (CID 16610084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).