3-ethoxy-N-(2,2,2-trifluoroethyl)propan-1-amine

C7H14F3NO — CID 28584533

IUPAC3-ethoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCOCCCNCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-2-12-5-3-4-11-6-7(8,9)10/h11H,2-6H2,1H3
InChIKeyDEIGBSBKWBZKLS-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.56
Rot. Bonds6

About 3-ethoxy-N-(2,2,2-trifluoroethyl)propan-1-amine

3-ethoxy-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 28584533) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 3-ethoxy-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID28584533
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name3-ethoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCOCCCNCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-2-12-5-3-4-11-6-7(8,9)10/h11H,2-6H2,1H3
InChIKeyDEIGBSBKWBZKLS-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 3-ethoxy-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 28584533) is 3-ethoxy-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 3-ethoxy-N-(2,2,2-trifluoroethyl)propan-1-amine is CCOCCCNCC(F)(F)F.
What is the InChIKey of 3-ethoxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is DEIGBSBKWBZKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-2-12-5-3-4-11-6-7(8,9)10/h11H,2-6H2,1H3.
What are the key properties of 3-ethoxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
3-ethoxy-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 185.19 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 28584533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).