N'-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C13H23F3N2O — CID 62554330

IUPACN'-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCC(NCCN(CC(F)(F)F)C1CC1)C1CCCO1
InChIInChI=1S/C13H23F3N2O/c1-10(12-3-2-8-19-12)17-6-7-18(11-4-5-11)9-13(14,15)16/h10-12,17H,2-9H2,1H3
InChIKeyHBWLFZFEYSPNNM-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.17
Rot. Bonds7

About N'-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 62554330) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is N'-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID62554330
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC NameN'-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCC(NCCN(CC(F)(F)F)C1CC1)C1CCCO1
InChIInChI=1S/C13H23F3N2O/c1-10(12-3-2-8-19-12)17-6-7-18(11-4-5-11)9-13(14,15)16/h10-12,17H,2-9H2,1H3
InChIKeyHBWLFZFEYSPNNM-UHFFFAOYSA-N
XLogP2.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 62554330) is N'-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CC(NCCN(CC(F)(F)F)C1CC1)C1CCCO1.
What is the InChIKey of N'-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is HBWLFZFEYSPNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-10(12-3-2-8-19-12)17-6-7-18(11-4-5-11)9-13(14,15)16/h10-12,17H,2-9H2,1H3.
What are the key properties of N'-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 280.33 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 62554330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).