(7Z)-1,1,1-trifluoro-7-methoxyiminooctan-2-ol

C9H16F3NO2 — CID 134183387

IUPAC(7Z)-1,1,1-trifluoro-7-methoxyiminooctan-2-ol
SMILESCO/N=C(/C)CCCCC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-7(13-15-2)5-3-4-6-8(14)9(10,11)12/h8,14H,3-6H2,1-2H3/b13-7-
InChIKeyHCGUHJBJNZCACZ-QPEQYQDCSA-N
MW227.23 g/mol
LogP2.49
Rot. Bonds6

About (7Z)-1,1,1-trifluoro-7-methoxyiminooctan-2-ol

(7Z)-1,1,1-trifluoro-7-methoxyiminooctan-2-ol (PubChem CID 134183387) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is (7Z)-1,1,1-trifluoro-7-methoxyiminooctan-2-ol.

Molecular Properties

Compound Name(7Z)-1,1,1-trifluoro-7-methoxyiminooctan-2-ol
PubChem CID134183387
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name(7Z)-1,1,1-trifluoro-7-methoxyiminooctan-2-ol
SMILESCO/N=C(/C)CCCCC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-7(13-15-2)5-3-4-6-8(14)9(10,11)12/h8,14H,3-6H2,1-2H3/b13-7-
InChIKeyHCGUHJBJNZCACZ-QPEQYQDCSA-N
XLogP2.49
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (7Z)-1,1,1-trifluoro-7-methoxyiminooctan-2-ol?
The IUPAC name of (7Z)-1,1,1-trifluoro-7-methoxyiminooctan-2-ol (CID 134183387) is (7Z)-1,1,1-trifluoro-7-methoxyiminooctan-2-ol.
What is the SMILES notation for (7Z)-1,1,1-trifluoro-7-methoxyiminooctan-2-ol?
The canonical SMILES for (7Z)-1,1,1-trifluoro-7-methoxyiminooctan-2-ol is CO/N=C(/C)CCCCC(O)C(F)(F)F.
What is the InChIKey of (7Z)-1,1,1-trifluoro-7-methoxyiminooctan-2-ol?
The InChIKey is HCGUHJBJNZCACZ-QPEQYQDCSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-7(13-15-2)5-3-4-6-8(14)9(10,11)12/h8,14H,3-6H2,1-2H3/b13-7-.
What are the key properties of (7Z)-1,1,1-trifluoro-7-methoxyiminooctan-2-ol?
(7Z)-1,1,1-trifluoro-7-methoxyiminooctan-2-ol has a molecular weight of 227.23 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-1,1,1-trifluoro-7-methoxyiminooctan-2-ol is sourced from PubChem (CID 134183387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).