1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C8H15F3N2O — CID 82836432

IUPAC1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCC(NCC(F)(F)F)C1CCCO1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)5-13-6(4-12)7-2-1-3-14-7/h6-7,13H,1-5,12H2
InChIKeyDROOJCZMTJPJRI-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.64
Rot. Bonds4

About 1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 82836432) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID82836432
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCC(NCC(F)(F)F)C1CCCO1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)5-13-6(4-12)7-2-1-3-14-7/h6-7,13H,1-5,12H2
InChIKeyDROOJCZMTJPJRI-UHFFFAOYSA-N
XLogP0.64
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of 1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 82836432) is 1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is NCC(NCC(F)(F)F)C1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is DROOJCZMTJPJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c9-8(10,11)5-13-6(4-12)7-2-1-3-14-7/h6-7,13H,1-5,12H2.
What are the key properties of 1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 212.21 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 82836432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).