3-(2,2,2-trifluoroethoxy)propan-1-amine

C5H10F3NO — CID 4737374

IUPAC3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESNCCCOCC(F)(F)F
InChIInChI=1S/C5H10F3NO/c6-5(7,8)4-10-3-1-2-9/h1-4,9H2
InChIKeyOPJGZAWRXBEOMB-UHFFFAOYSA-N
MW157.13 g/mol
LogP0.91
Rot. Bonds4

About 3-(2,2,2-trifluoroethoxy)propan-1-amine

3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 4737374) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID4737374
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESNCCCOCC(F)(F)F
InChIInChI=1S/C5H10F3NO/c6-5(7,8)4-10-3-1-2-9/h1-4,9H2
InChIKeyOPJGZAWRXBEOMB-UHFFFAOYSA-N
XLogP0.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 50.91
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-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 4737374) is 3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 3-(2,2,2-trifluoroethoxy)propan-1-amine is NCCCOCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is OPJGZAWRXBEOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c6-5(7,8)4-10-3-1-2-9/h1-4,9H2.
What are the key properties of 3-(2,2,2-trifluoroethoxy)propan-1-amine?
3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 157.13 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 4737374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).