4,4,4-trifluoro-1-(3-propan-2-ylimidazol-4-yl)butan-1-ol

C10H15F3N2O — CID 66164032

IUPAC4,4,4-trifluoro-1-(3-propan-2-ylimidazol-4-yl)butan-1-ol
SMILESCC(C)n1cncc1C(O)CCC(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-7(2)15-6-14-5-8(15)9(16)3-4-10(11,12)13/h5-7,9,16H,3-4H2,1-2H3
InChIKeyVFCHCPDDHVOHFR-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.84
Rot. Bonds4

About 4,4,4-trifluoro-1-(3-propan-2-ylimidazol-4-yl)butan-1-ol

4,4,4-trifluoro-1-(3-propan-2-ylimidazol-4-yl)butan-1-ol (PubChem CID 66164032) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(3-propan-2-ylimidazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(3-propan-2-ylimidazol-4-yl)butan-1-ol
PubChem CID66164032
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name4,4,4-trifluoro-1-(3-propan-2-ylimidazol-4-yl)butan-1-ol
SMILESCC(C)n1cncc1C(O)CCC(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-7(2)15-6-14-5-8(15)9(16)3-4-10(11,12)13/h5-7,9,16H,3-4H2,1-2H3
InChIKeyVFCHCPDDHVOHFR-UHFFFAOYSA-N
XLogP2.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(3-propan-2-ylimidazol-4-yl)butan-1-ol?
The IUPAC name of 4,4,4-trifluoro-1-(3-propan-2-ylimidazol-4-yl)butan-1-ol (CID 66164032) is 4,4,4-trifluoro-1-(3-propan-2-ylimidazol-4-yl)butan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-(3-propan-2-ylimidazol-4-yl)butan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-1-(3-propan-2-ylimidazol-4-yl)butan-1-ol is CC(C)n1cncc1C(O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-(3-propan-2-ylimidazol-4-yl)butan-1-ol?
The InChIKey is VFCHCPDDHVOHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-7(2)15-6-14-5-8(15)9(16)3-4-10(11,12)13/h5-7,9,16H,3-4H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-1-(3-propan-2-ylimidazol-4-yl)butan-1-ol?
4,4,4-trifluoro-1-(3-propan-2-ylimidazol-4-yl)butan-1-ol has a molecular weight of 236.24 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(3-propan-2-ylimidazol-4-yl)butan-1-ol is sourced from PubChem (CID 66164032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).