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

C9H13FN2O — CID 84769383

IUPAC1-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]cyclopropan-1-ol
SMILESCC(C)(F)c1ncc(C2(O)CC2)[nH]1
InChIInChI=1S/C9H13FN2O/c1-8(2,10)7-11-5-6(12-7)9(13)3-4-9/h5,13H,3-4H2,1-2H3,(H,11,12)
InChIKeyOOLBAMBISLBMDX-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.60
Rot. Bonds2

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

1-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]cyclopropan-1-ol (PubChem CID 84769383) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 1-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]cyclopropan-1-ol
PubChem CID84769383
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name1-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]cyclopropan-1-ol
SMILESCC(C)(F)c1ncc(C2(O)CC2)[nH]1
InChIInChI=1S/C9H13FN2O/c1-8(2,10)7-11-5-6(12-7)9(13)3-4-9/h5,13H,3-4H2,1-2H3,(H,11,12)
InChIKeyOOLBAMBISLBMDX-UHFFFAOYSA-N
XLogP1.60
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]cyclopropan-1-ol?
The IUPAC name of 1-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]cyclopropan-1-ol (CID 84769383) is 1-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]cyclopropan-1-ol is CC(C)(F)c1ncc(C2(O)CC2)[nH]1.
What is the InChIKey of 1-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]cyclopropan-1-ol?
The InChIKey is OOLBAMBISLBMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-8(2,10)7-11-5-6(12-7)9(13)3-4-9/h5,13H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 1-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]cyclopropan-1-ol?
1-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]cyclopropan-1-ol has a molecular weight of 184.21 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]cyclopropan-1-ol is sourced from PubChem (CID 84769383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).