N'-ethyl-N'-(oxolan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C11H21F3N2O — CID 55089627

IUPACN'-ethyl-N'-(oxolan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCN(CCNCC(F)(F)F)CC1CCCO1
InChIInChI=1S/C11H21F3N2O/c1-2-16(8-10-4-3-7-17-10)6-5-15-9-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyIWOKFSNXMQCUGG-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.64
Rot. Bonds7

About N'-ethyl-N'-(oxolan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-ethyl-N'-(oxolan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 55089627) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is N'-ethyl-N'-(oxolan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(oxolan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID55089627
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC NameN'-ethyl-N'-(oxolan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCN(CCNCC(F)(F)F)CC1CCCO1
InChIInChI=1S/C11H21F3N2O/c1-2-16(8-10-4-3-7-17-10)6-5-15-9-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyIWOKFSNXMQCUGG-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N'-ethyl-N'-(oxolan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(oxolan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 55089627) is N'-ethyl-N'-(oxolan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(oxolan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(oxolan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCN(CCNCC(F)(F)F)CC1CCCO1.
What is the InChIKey of N'-ethyl-N'-(oxolan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is IWOKFSNXMQCUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-2-16(8-10-4-3-7-17-10)6-5-15-9-11(12,13)14/h10,15H,2-9H2,1H3.
What are the key properties of N'-ethyl-N'-(oxolan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-ethyl-N'-(oxolan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 254.30 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(oxolan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 55089627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).