4,4,4-trifluoro-1-(1H-imidazol-2-yl)-3-(trifluoromethyl)butan-2-ol

C8H8F6N2O — CID 103310567

IUPAC4,4,4-trifluoro-1-(1H-imidazol-2-yl)-3-(trifluoromethyl)butan-2-ol
SMILESOC(Cc1ncc[nH]1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6N2O/c9-7(10,11)6(8(12,13)14)4(17)3-5-15-1-2-16-5/h1-2,4,6,17H,3H2,(H,15,16)
InChIKeyXPYVWVYKTLYVJV-UHFFFAOYSA-N
MW262.15 g/mol
LogP2.05
Rot. Bonds3

About 4,4,4-trifluoro-1-(1H-imidazol-2-yl)-3-(trifluoromethyl)butan-2-ol

4,4,4-trifluoro-1-(1H-imidazol-2-yl)-3-(trifluoromethyl)butan-2-ol (PubChem CID 103310567) has the molecular formula C8H8F6N2O and a molecular weight of 262.15 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(1H-imidazol-2-yl)-3-(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(1H-imidazol-2-yl)-3-(trifluoromethyl)butan-2-ol
PubChem CID103310567
Molecular FormulaC8H8F6N2O
Molecular Weight262.15 g/mol
Exact Mass262.05
IUPAC Name4,4,4-trifluoro-1-(1H-imidazol-2-yl)-3-(trifluoromethyl)butan-2-ol
SMILESOC(Cc1ncc[nH]1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6N2O/c9-7(10,11)6(8(12,13)14)4(17)3-5-15-1-2-16-5/h1-2,4,6,17H,3H2,(H,15,16)
InChIKeyXPYVWVYKTLYVJV-UHFFFAOYSA-N
XLogP2.05
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(1H-imidazol-2-yl)-3-(trifluoromethyl)butan-2-ol?
The IUPAC name of 4,4,4-trifluoro-1-(1H-imidazol-2-yl)-3-(trifluoromethyl)butan-2-ol (CID 103310567) is 4,4,4-trifluoro-1-(1H-imidazol-2-yl)-3-(trifluoromethyl)butan-2-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-(1H-imidazol-2-yl)-3-(trifluoromethyl)butan-2-ol?
The canonical SMILES for 4,4,4-trifluoro-1-(1H-imidazol-2-yl)-3-(trifluoromethyl)butan-2-ol is OC(Cc1ncc[nH]1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-(1H-imidazol-2-yl)-3-(trifluoromethyl)butan-2-ol?
The InChIKey is XPYVWVYKTLYVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6N2O/c9-7(10,11)6(8(12,13)14)4(17)3-5-15-1-2-16-5/h1-2,4,6,17H,3H2,(H,15,16).
What are the key properties of 4,4,4-trifluoro-1-(1H-imidazol-2-yl)-3-(trifluoromethyl)butan-2-ol?
4,4,4-trifluoro-1-(1H-imidazol-2-yl)-3-(trifluoromethyl)butan-2-ol has a molecular weight of 262.15 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(1H-imidazol-2-yl)-3-(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 103310567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).