2-methylpropyl 5-fluoro-1H-imidazole-4-carboxylate

C8H11FN2O2 — CID 167225381

IUPAC2-methylpropyl 5-fluoro-1H-imidazole-4-carboxylate
SMILESCC(C)COC(=O)c1nc[nH]c1F
InChIInChI=1S/C8H11FN2O2/c1-5(2)3-13-8(12)6-7(9)11-4-10-6/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyGSYFGMRZWCPDJJ-UHFFFAOYSA-N
MW186.19 g/mol
LogP1.36
Rot. Bonds3

About 2-methylpropyl 5-fluoro-1H-imidazole-4-carboxylate

2-methylpropyl 5-fluoro-1H-imidazole-4-carboxylate (PubChem CID 167225381) has the molecular formula C8H11FN2O2 and a molecular weight of 186.19 g/mol. Its IUPAC name is 2-methylpropyl 5-fluoro-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 5-fluoro-1H-imidazole-4-carboxylate
PubChem CID167225381
Molecular FormulaC8H11FN2O2
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC Name2-methylpropyl 5-fluoro-1H-imidazole-4-carboxylate
SMILESCC(C)COC(=O)c1nc[nH]c1F
InChIInChI=1S/C8H11FN2O2/c1-5(2)3-13-8(12)6-7(9)11-4-10-6/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyGSYFGMRZWCPDJJ-UHFFFAOYSA-N
XLogP1.36
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-fluoro-1H-imidazole-4-carboxylate
CID 158522577
1-(5-fluoro-1H-imidazol-4-yl)ethanone
CID 89181276
2-methylpropyl 5-methyl-2H-triazole-4-carboxylate
CID 103113233
2-methylpropyl 3-bromo-6-fluoropyridine-2-carboxylate
CID 167520654
2-methylpropyl 4,5-dimethyl-1H-pyrazole-3-carboxylate
CID 176935377
2-methylpropyl 2,6-difluorobenzoate
CID 587969
2-methylpropyl 5-(difluoromethyl)pyrazine-2-carboxylate
CID 123532816
2-methylpropyl 2-methyl-1H-pyrrole-3-carboxylate
CID 102035979
bis(2-methylpropyl) 1H-pyrrole-2,3-dicarboxylate
CID 19980679
2-methylpropyl 3,4-dichlorobenzoate
CID 82186391
2-methylpropyl 4-[(4-fluorophenyl)methoxy]benzoate
CID 82186361
ethyl 5-tert-butyl-1H-imidazole-4-carboxylate
CID 21031490

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 5-fluoro-1H-imidazole-4-carboxylate?
The IUPAC name of 2-methylpropyl 5-fluoro-1H-imidazole-4-carboxylate (CID 167225381) is 2-methylpropyl 5-fluoro-1H-imidazole-4-carboxylate.
What is the SMILES notation for 2-methylpropyl 5-fluoro-1H-imidazole-4-carboxylate?
The canonical SMILES for 2-methylpropyl 5-fluoro-1H-imidazole-4-carboxylate is CC(C)COC(=O)c1nc[nH]c1F.
What is the InChIKey of 2-methylpropyl 5-fluoro-1H-imidazole-4-carboxylate?
The InChIKey is GSYFGMRZWCPDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2/c1-5(2)3-13-8(12)6-7(9)11-4-10-6/h4-5H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-methylpropyl 5-fluoro-1H-imidazole-4-carboxylate?
2-methylpropyl 5-fluoro-1H-imidazole-4-carboxylate has a molecular weight of 186.19 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 5-fluoro-1H-imidazole-4-carboxylate is sourced from PubChem (CID 167225381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).