1-(oxolan-3-yl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C11H21F3N2O — CID 104745629

IUPAC1-(oxolan-3-yl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCN(CC(N)C1CCOC1)CC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-2-4-16(8-11(12,13)14)6-10(15)9-3-5-17-7-9/h9-10H,2-8,15H2,1H3
InChIKeyGPTRGZOLTQWQOA-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.62
Rot. Bonds6

About 1-(oxolan-3-yl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

1-(oxolan-3-yl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 104745629) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID104745629
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name1-(oxolan-3-yl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCN(CC(N)C1CCOC1)CC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-2-4-16(8-11(12,13)14)6-10(15)9-3-5-17-7-9/h9-10H,2-8,15H2,1H3
InChIKeyGPTRGZOLTQWQOA-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of 1-(oxolan-3-yl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 104745629) is 1-(oxolan-3-yl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(oxolan-3-yl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(oxolan-3-yl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCCN(CC(N)C1CCOC1)CC(F)(F)F.
What is the InChIKey of 1-(oxolan-3-yl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is GPTRGZOLTQWQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-2-4-16(8-11(12,13)14)6-10(15)9-3-5-17-7-9/h9-10H,2-8,15H2,1H3.
What are the key properties of 1-(oxolan-3-yl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
1-(oxolan-3-yl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 254.30 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 104745629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).