1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-imine

C8H13F3N2O — CID 63827719

IUPAC1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCOCC(F)(F)F
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)6-14-5-4-13-3-1-2-7(13)12/h12H,1-6H2/b12-7+
InChIKeySMNHNJXGCJQUIA-KPKJPENVSA-N
MW210.20 g/mol
LogP1.64
Rot. Bonds4

About 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-imine

1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-imine (PubChem CID 63827719) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-imine.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-imine
PubChem CID63827719
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCOCC(F)(F)F
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)6-14-5-4-13-3-1-2-7(13)12/h12H,1-6H2/b12-7+
InChIKeySMNHNJXGCJQUIA-KPKJPENVSA-N
XLogP1.64
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-imine?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-imine (CID 63827719) is 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-imine.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-imine?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-imine is [H]/N=C1\CCCN1CCOCC(F)(F)F.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-imine?
The InChIKey is SMNHNJXGCJQUIA-KPKJPENVSA-N. The full InChI is InChI=1S/C8H13F3N2O/c9-8(10,11)6-14-5-4-13-3-1-2-7(13)12/h12H,1-6H2/b12-7+.
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-imine?
1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-imine has a molecular weight of 210.20 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-imine is sourced from PubChem (CID 63827719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).