1-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C9H17F3N2O — CID 82836431

IUPAC1-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCC1CCC(C(CN)NCC(F)(F)F)O1
InChIInChI=1S/C9H17F3N2O/c1-6-2-3-8(15-6)7(4-13)14-5-9(10,11)12/h6-8,14H,2-5,13H2,1H3
InChIKeyRBXNWSWIEHDCSB-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.03
Rot. Bonds4

About 1-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

1-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 82836431) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID82836431
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name1-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCC1CCC(C(CN)NCC(F)(F)F)O1
InChIInChI=1S/C9H17F3N2O/c1-6-2-3-8(15-6)7(4-13)14-5-9(10,11)12/h6-8,14H,2-5,13H2,1H3
InChIKeyRBXNWSWIEHDCSB-UHFFFAOYSA-N
XLogP1.03
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 82836431) is 1-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CC1CCC(C(CN)NCC(F)(F)F)O1.
What is the InChIKey of 1-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is RBXNWSWIEHDCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-6-2-3-8(15-6)7(4-13)14-5-9(10,11)12/h6-8,14H,2-5,13H2,1H3.
What are the key properties of 1-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
1-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 226.24 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 82836431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).