2,2,2-trifluoro-N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide

C9H11F4N3O — CID 59383109

IUPAC2,2,2-trifluoro-N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide
SMILESO=C(NCCc1cn(CCF)cn1)C(F)(F)F
InChIInChI=1S/C9H11F4N3O/c10-2-4-16-5-7(15-6-16)1-3-14-8(17)9(11,12)13/h5-6H,1-4H2,(H,14,17)
InChIKeyHJPALPMXXSBBRX-UHFFFAOYSA-N
MW253.20 g/mol
LogP1.07
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide

2,2,2-trifluoro-N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide (PubChem CID 59383109) has the molecular formula C9H11F4N3O and a molecular weight of 253.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide
PubChem CID59383109
Molecular FormulaC9H11F4N3O
Molecular Weight253.20 g/mol
Exact Mass253.08
IUPAC Name2,2,2-trifluoro-N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide
SMILESO=C(NCCc1cn(CCF)cn1)C(F)(F)F
InChIInChI=1S/C9H11F4N3O/c10-2-4-16-5-7(15-6-16)1-3-14-8(17)9(11,12)13/h5-6H,1-4H2,(H,14,17)
InChIKeyHJPALPMXXSBBRX-UHFFFAOYSA-N
XLogP1.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2,2,2-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
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Glycylhistamine
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N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide (CID 59383109) is 2,2,2-trifluoro-N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide is O=C(NCCc1cn(CCF)cn1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide?
The InChIKey is HJPALPMXXSBBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4N3O/c10-2-4-16-5-7(15-6-16)1-3-14-8(17)9(11,12)13/h5-6H,1-4H2,(H,14,17).
What are the key properties of 2,2,2-trifluoro-N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide has a molecular weight of 253.20 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 59383109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).