1,1,1-trifluoro-4-imino-2-methylpentan-2-ol

C6H10F3NO — CID 162559545

IUPAC1,1,1-trifluoro-4-imino-2-methylpentan-2-ol
SMILES[H]/N=C(\C)CC(C)(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-4(10)3-5(2,11)6(7,8)9/h10-11H,3H2,1-2H3/b10-4+
InChIKeyQADHZAPVRALBDX-ONNFQVAWSA-N
MW169.15 g/mol
LogP1.73
Rot. Bonds2

About 1,1,1-trifluoro-4-imino-2-methylpentan-2-ol

1,1,1-trifluoro-4-imino-2-methylpentan-2-ol (PubChem CID 162559545) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-imino-2-methylpentan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-imino-2-methylpentan-2-ol
PubChem CID162559545
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name1,1,1-trifluoro-4-imino-2-methylpentan-2-ol
SMILES[H]/N=C(\C)CC(C)(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-4(10)3-5(2,11)6(7,8)9/h10-11H,3H2,1-2H3/b10-4+
InChIKeyQADHZAPVRALBDX-ONNFQVAWSA-N
XLogP1.73
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-imino-2-methylpentan-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-imino-2-methylpentan-2-ol (CID 162559545) is 1,1,1-trifluoro-4-imino-2-methylpentan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-imino-2-methylpentan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-imino-2-methylpentan-2-ol is [H]/N=C(\C)CC(C)(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-imino-2-methylpentan-2-ol?
The InChIKey is QADHZAPVRALBDX-ONNFQVAWSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-4(10)3-5(2,11)6(7,8)9/h10-11H,3H2,1-2H3/b10-4+.
What are the key properties of 1,1,1-trifluoro-4-imino-2-methylpentan-2-ol?
1,1,1-trifluoro-4-imino-2-methylpentan-2-ol has a molecular weight of 169.15 g/mol, XLogP of 1.73, 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-4-imino-2-methylpentan-2-ol is sourced from PubChem (CID 162559545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).