(3E)-1,1,1-trifluoro-3-hydroxyiminopentan-2-ol

C5H8F3NO2 — CID 172927613

IUPAC(3E)-1,1,1-trifluoro-3-hydroxyiminopentan-2-ol
SMILESCC/C(=N\O)C(O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-2-3(9-11)4(10)5(6,7)8/h4,10-11H,2H2,1H3/b9-3+
InChIKeyTWPVDYOPRIANMG-YCRREMRBSA-N
MW171.12 g/mol
LogP1.15
Rot. Bonds2

About (3E)-1,1,1-trifluoro-3-hydroxyiminopentan-2-ol

(3E)-1,1,1-trifluoro-3-hydroxyiminopentan-2-ol (PubChem CID 172927613) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is (3E)-1,1,1-trifluoro-3-hydroxyiminopentan-2-ol.

Molecular Properties

Compound Name(3E)-1,1,1-trifluoro-3-hydroxyiminopentan-2-ol
PubChem CID172927613
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name(3E)-1,1,1-trifluoro-3-hydroxyiminopentan-2-ol
SMILESCC/C(=N\O)C(O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-2-3(9-11)4(10)5(6,7)8/h4,10-11H,2H2,1H3/b9-3+
InChIKeyTWPVDYOPRIANMG-YCRREMRBSA-N
XLogP1.15
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-1,1,1-trifluoro-3-hydroxyiminopentan-2-ol?
The IUPAC name of (3E)-1,1,1-trifluoro-3-hydroxyiminopentan-2-ol (CID 172927613) is (3E)-1,1,1-trifluoro-3-hydroxyiminopentan-2-ol.
What is the SMILES notation for (3E)-1,1,1-trifluoro-3-hydroxyiminopentan-2-ol?
The canonical SMILES for (3E)-1,1,1-trifluoro-3-hydroxyiminopentan-2-ol is CC/C(=N\O)C(O)C(F)(F)F.
What is the InChIKey of (3E)-1,1,1-trifluoro-3-hydroxyiminopentan-2-ol?
The InChIKey is TWPVDYOPRIANMG-YCRREMRBSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-2-3(9-11)4(10)5(6,7)8/h4,10-11H,2H2,1H3/b9-3+.
What are the key properties of (3E)-1,1,1-trifluoro-3-hydroxyiminopentan-2-ol?
(3E)-1,1,1-trifluoro-3-hydroxyiminopentan-2-ol has a molecular weight of 171.12 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1,1,1-trifluoro-3-hydroxyiminopentan-2-ol is sourced from PubChem (CID 172927613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).