1-[2-(fluoromethyl)-1H-imidazol-5-yl]cyclopropan-1-ol

C7H9FN2O — CID 84763694

IUPAC1-[2-(fluoromethyl)-1H-imidazol-5-yl]cyclopropan-1-ol
SMILESOC1(c2cnc(CF)[nH]2)CC1
InChIInChI=1S/C7H9FN2O/c8-3-6-9-4-5(10-6)7(11)1-2-7/h4,11H,1-3H2,(H,9,10)
InChIKeyGFFXOIRTHHEGPG-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.86
Rot. Bonds2

About 1-[2-(fluoromethyl)-1H-imidazol-5-yl]cyclopropan-1-ol

1-[2-(fluoromethyl)-1H-imidazol-5-yl]cyclopropan-1-ol (PubChem CID 84763694) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 1-[2-(fluoromethyl)-1H-imidazol-5-yl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2-(fluoromethyl)-1H-imidazol-5-yl]cyclopropan-1-ol
PubChem CID84763694
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name1-[2-(fluoromethyl)-1H-imidazol-5-yl]cyclopropan-1-ol
SMILESOC1(c2cnc(CF)[nH]2)CC1
InChIInChI=1S/C7H9FN2O/c8-3-6-9-4-5(10-6)7(11)1-2-7/h4,11H,1-3H2,(H,9,10)
InChIKeyGFFXOIRTHHEGPG-UHFFFAOYSA-N
XLogP0.86
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(fluoromethyl)-1H-imidazol-5-yl]cyclopropan-1-ol?
The IUPAC name of 1-[2-(fluoromethyl)-1H-imidazol-5-yl]cyclopropan-1-ol (CID 84763694) is 1-[2-(fluoromethyl)-1H-imidazol-5-yl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-(fluoromethyl)-1H-imidazol-5-yl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-(fluoromethyl)-1H-imidazol-5-yl]cyclopropan-1-ol is OC1(c2cnc(CF)[nH]2)CC1.
What is the InChIKey of 1-[2-(fluoromethyl)-1H-imidazol-5-yl]cyclopropan-1-ol?
The InChIKey is GFFXOIRTHHEGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c8-3-6-9-4-5(10-6)7(11)1-2-7/h4,11H,1-3H2,(H,9,10).
What are the key properties of 1-[2-(fluoromethyl)-1H-imidazol-5-yl]cyclopropan-1-ol?
1-[2-(fluoromethyl)-1H-imidazol-5-yl]cyclopropan-1-ol has a molecular weight of 156.16 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(fluoromethyl)-1H-imidazol-5-yl]cyclopropan-1-ol is sourced from PubChem (CID 84763694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).