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

C6H10F3NO2 — CID 172932984

IUPAC(3E)-1,1,1-trifluoro-3-methoxyiminopentan-2-ol
SMILESCC/C(=N\OC)C(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-3-4(10-12-2)5(11)6(7,8)9/h5,11H,3H2,1-2H3/b10-4+
InChIKeyCXNXGDRZUKTNLO-ONNFQVAWSA-N
MW185.14 g/mol
LogP1.32
Rot. Bonds3

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

(3E)-1,1,1-trifluoro-3-methoxyiminopentan-2-ol (PubChem CID 172932984) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is (3E)-1,1,1-trifluoro-3-methoxyiminopentan-2-ol.

Molecular Properties

Compound Name(3E)-1,1,1-trifluoro-3-methoxyiminopentan-2-ol
PubChem CID172932984
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name(3E)-1,1,1-trifluoro-3-methoxyiminopentan-2-ol
SMILESCC/C(=N\OC)C(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-3-4(10-12-2)5(11)6(7,8)9/h5,11H,3H2,1-2H3/b10-4+
InChIKeyCXNXGDRZUKTNLO-ONNFQVAWSA-N
XLogP1.32
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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-methoxyiminopentan-2-ol?
The IUPAC name of (3E)-1,1,1-trifluoro-3-methoxyiminopentan-2-ol (CID 172932984) is (3E)-1,1,1-trifluoro-3-methoxyiminopentan-2-ol.
What is the SMILES notation for (3E)-1,1,1-trifluoro-3-methoxyiminopentan-2-ol?
The canonical SMILES for (3E)-1,1,1-trifluoro-3-methoxyiminopentan-2-ol is CC/C(=N\OC)C(O)C(F)(F)F.
What is the InChIKey of (3E)-1,1,1-trifluoro-3-methoxyiminopentan-2-ol?
The InChIKey is CXNXGDRZUKTNLO-ONNFQVAWSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-3-4(10-12-2)5(11)6(7,8)9/h5,11H,3H2,1-2H3/b10-4+.
What are the key properties of (3E)-1,1,1-trifluoro-3-methoxyiminopentan-2-ol?
(3E)-1,1,1-trifluoro-3-methoxyiminopentan-2-ol has a molecular weight of 185.14 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1,1,1-trifluoro-3-methoxyiminopentan-2-ol is sourced from PubChem (CID 172932984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).