4-[5-(trifluoromethyl)-1H-imidazol-2-yl]oxan-4-ol

C9H11F3N2O2 — CID 90030256

IUPAC4-[5-(trifluoromethyl)-1H-imidazol-2-yl]oxan-4-ol
SMILESOC1(c2ncc(C(F)(F)F)[nH]2)CCOCC1
InChIInChI=1S/C9H11F3N2O2/c10-9(11,12)6-5-13-7(14-6)8(15)1-3-16-4-2-8/h5,15H,1-4H2,(H,13,14)
InChIKeyUSVQULLRHDTSDM-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.43
Rot. Bonds1

About 4-[5-(trifluoromethyl)-1H-imidazol-2-yl]oxan-4-ol

4-[5-(trifluoromethyl)-1H-imidazol-2-yl]oxan-4-ol (PubChem CID 90030256) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)-1H-imidazol-2-yl]oxan-4-ol.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)-1H-imidazol-2-yl]oxan-4-ol
PubChem CID90030256
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name4-[5-(trifluoromethyl)-1H-imidazol-2-yl]oxan-4-ol
SMILESOC1(c2ncc(C(F)(F)F)[nH]2)CCOCC1
InChIInChI=1S/C9H11F3N2O2/c10-9(11,12)6-5-13-7(14-6)8(15)1-3-16-4-2-8/h5,15H,1-4H2,(H,13,14)
InChIKeyUSVQULLRHDTSDM-UHFFFAOYSA-N
XLogP1.43
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)-1H-imidazol-2-yl]oxan-4-ol?
The IUPAC name of 4-[5-(trifluoromethyl)-1H-imidazol-2-yl]oxan-4-ol (CID 90030256) is 4-[5-(trifluoromethyl)-1H-imidazol-2-yl]oxan-4-ol.
What is the SMILES notation for 4-[5-(trifluoromethyl)-1H-imidazol-2-yl]oxan-4-ol?
The canonical SMILES for 4-[5-(trifluoromethyl)-1H-imidazol-2-yl]oxan-4-ol is OC1(c2ncc(C(F)(F)F)[nH]2)CCOCC1.
What is the InChIKey of 4-[5-(trifluoromethyl)-1H-imidazol-2-yl]oxan-4-ol?
The InChIKey is USVQULLRHDTSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c10-9(11,12)6-5-13-7(14-6)8(15)1-3-16-4-2-8/h5,15H,1-4H2,(H,13,14).
What are the key properties of 4-[5-(trifluoromethyl)-1H-imidazol-2-yl]oxan-4-ol?
4-[5-(trifluoromethyl)-1H-imidazol-2-yl]oxan-4-ol has a molecular weight of 236.19 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)-1H-imidazol-2-yl]oxan-4-ol is sourced from PubChem (CID 90030256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).