1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-ol

C6H7F3N2O — CID 61082024

IUPAC1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-ol
SMILESOC(Cc1ncc[nH]1)C(F)(F)F
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)4(12)3-5-10-1-2-11-5/h1-2,4,12H,3H2,(H,10,11)
InChIKeyQYYPXJFJTDABSN-UHFFFAOYSA-N
MW180.13 g/mol
LogP0.88
Rot. Bonds2

About 1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-ol

1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-ol (PubChem CID 61082024) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-ol
PubChem CID61082024
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-ol
SMILESOC(Cc1ncc[nH]1)C(F)(F)F
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)4(12)3-5-10-1-2-11-5/h1-2,4,12H,3H2,(H,10,11)
InChIKeyQYYPXJFJTDABSN-UHFFFAOYSA-N
XLogP0.88
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-ol (CID 61082024) is 1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-ol is OC(Cc1ncc[nH]1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-ol?
The InChIKey is QYYPXJFJTDABSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c7-6(8,9)4(12)3-5-10-1-2-11-5/h1-2,4,12H,3H2,(H,10,11).
What are the key properties of 1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-ol?
1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-ol has a molecular weight of 180.13 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-ol is sourced from PubChem (CID 61082024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).