1-(3-ethylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol

C9H13F3N2O — CID 66135153

IUPAC1-(3-ethylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol
SMILESCCn1cncc1C(O)CCC(F)(F)F
InChIInChI=1S/C9H13F3N2O/c1-2-14-6-13-5-7(14)8(15)3-4-9(10,11)12/h5-6,8,15H,2-4H2,1H3
InChIKeyUMWDTVRYCLMXML-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.28
Rot. Bonds4

About 1-(3-ethylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol

1-(3-ethylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol (PubChem CID 66135153) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 1-(3-ethylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name1-(3-ethylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol
PubChem CID66135153
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name1-(3-ethylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol
SMILESCCn1cncc1C(O)CCC(F)(F)F
InChIInChI=1S/C9H13F3N2O/c1-2-14-6-13-5-7(14)8(15)3-4-9(10,11)12/h5-6,8,15H,2-4H2,1H3
InChIKeyUMWDTVRYCLMXML-UHFFFAOYSA-N
XLogP2.28
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 1-(3-ethylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol (CID 66135153) is 1-(3-ethylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 1-(3-ethylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 1-(3-ethylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol is CCn1cncc1C(O)CCC(F)(F)F.
What is the InChIKey of 1-(3-ethylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol?
The InChIKey is UMWDTVRYCLMXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-2-14-6-13-5-7(14)8(15)3-4-9(10,11)12/h5-6,8,15H,2-4H2,1H3.
What are the key properties of 1-(3-ethylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol?
1-(3-ethylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol has a molecular weight of 222.21 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 66135153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).