2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine

C9H16F3NO — CID 103150689

IUPAC2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine
SMILESCCC1CC1(N)CCOCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-2-7-5-8(7,13)3-4-14-6-9(10,11)12/h7H,2-6,13H2,1H3
InChIKeyUMDGUPVRFVUYQT-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.08
Rot. Bonds5

About 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine

2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine (PubChem CID 103150689) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine
PubChem CID103150689
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine
SMILESCCC1CC1(N)CCOCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-2-7-5-8(7,13)3-4-14-6-9(10,11)12/h7H,2-6,13H2,1H3
InChIKeyUMDGUPVRFVUYQT-UHFFFAOYSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.08
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 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine?
The IUPAC name of 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine (CID 103150689) is 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine?
The canonical SMILES for 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine is CCC1CC1(N)CCOCC(F)(F)F.
What is the InChIKey of 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine?
The InChIKey is UMDGUPVRFVUYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-2-7-5-8(7,13)3-4-14-6-9(10,11)12/h7H,2-6,13H2,1H3.
What are the key properties of 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine?
2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine has a molecular weight of 211.23 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 103150689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).