3-(1-ethyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one

C12H10F4N2O — CID 79872626

IUPAC3-(1-ethyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one
SMILESCCn1c(CC(=O)C(F)(F)F)nc2cc(F)ccc21
InChIInChI=1S/C12H10F4N2O/c1-2-18-9-4-3-7(13)5-8(9)17-11(18)6-10(19)12(14,15)16/h3-5H,2,6H2,1H3
InChIKeyPOEVBXMQYQZONW-UHFFFAOYSA-N
MW274.22 g/mol
LogP2.87
Rot. Bonds3

About 3-(1-ethyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one

3-(1-ethyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one (PubChem CID 79872626) has the molecular formula C12H10F4N2O and a molecular weight of 274.22 g/mol. Its IUPAC name is 3-(1-ethyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one.

Molecular Properties

Compound Name3-(1-ethyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one
PubChem CID79872626
Molecular FormulaC12H10F4N2O
Molecular Weight274.22 g/mol
Exact Mass274.07
IUPAC Name3-(1-ethyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one
SMILESCCn1c(CC(=O)C(F)(F)F)nc2cc(F)ccc21
InChIInChI=1S/C12H10F4N2O/c1-2-18-9-4-3-7(13)5-8(9)17-11(18)6-10(19)12(14,15)16/h3-5H,2,6H2,1H3
InChIKeyPOEVBXMQYQZONW-UHFFFAOYSA-N
XLogP2.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one?
The IUPAC name of 3-(1-ethyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one (CID 79872626) is 3-(1-ethyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one.
What is the SMILES notation for 3-(1-ethyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one?
The canonical SMILES for 3-(1-ethyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one is CCn1c(CC(=O)C(F)(F)F)nc2cc(F)ccc21.
What is the InChIKey of 3-(1-ethyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one?
The InChIKey is POEVBXMQYQZONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2O/c1-2-18-9-4-3-7(13)5-8(9)17-11(18)6-10(19)12(14,15)16/h3-5H,2,6H2,1H3.
What are the key properties of 3-(1-ethyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one?
3-(1-ethyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one has a molecular weight of 274.22 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one is sourced from PubChem (CID 79872626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).