3-ethoxy-1,1,1-trifluorobutan-2-imine

C6H10F3NO — CID 174437775

IUPAC3-ethoxy-1,1,1-trifluorobutan-2-imine
SMILES[H]/N=C(\C(C)OCC)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-3-11-4(2)5(10)6(7,8)9/h4,10H,3H2,1-2H3/b10-5+
InChIKeyCAOZMKWAKQDFFR-BJMVGYQFSA-N
MW169.15 g/mol
LogP1.99
Rot. Bonds3

About 3-ethoxy-1,1,1-trifluorobutan-2-imine

3-ethoxy-1,1,1-trifluorobutan-2-imine (PubChem CID 174437775) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 3-ethoxy-1,1,1-trifluorobutan-2-imine.

Molecular Properties

Compound Name3-ethoxy-1,1,1-trifluorobutan-2-imine
PubChem CID174437775
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name3-ethoxy-1,1,1-trifluorobutan-2-imine
SMILES[H]/N=C(\C(C)OCC)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-3-11-4(2)5(10)6(7,8)9/h4,10H,3H2,1-2H3/b10-5+
InChIKeyCAOZMKWAKQDFFR-BJMVGYQFSA-N
XLogP1.99
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.99
H-Bond Donors ≤ 51
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 3-ethoxy-1,1,1-trifluorobutan-2-imine?
The IUPAC name of 3-ethoxy-1,1,1-trifluorobutan-2-imine (CID 174437775) is 3-ethoxy-1,1,1-trifluorobutan-2-imine.
What is the SMILES notation for 3-ethoxy-1,1,1-trifluorobutan-2-imine?
The canonical SMILES for 3-ethoxy-1,1,1-trifluorobutan-2-imine is [H]/N=C(\C(C)OCC)C(F)(F)F.
What is the InChIKey of 3-ethoxy-1,1,1-trifluorobutan-2-imine?
The InChIKey is CAOZMKWAKQDFFR-BJMVGYQFSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-3-11-4(2)5(10)6(7,8)9/h4,10H,3H2,1-2H3/b10-5+.
What are the key properties of 3-ethoxy-1,1,1-trifluorobutan-2-imine?
3-ethoxy-1,1,1-trifluorobutan-2-imine has a molecular weight of 169.15 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,1,1-trifluorobutan-2-imine is sourced from PubChem (CID 174437775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).