N'-ethyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C9H17F3N2 — CID 62555964

IUPACN'-ethyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESC=CCNCCN(CC)CC(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-3-5-13-6-7-14(4-2)8-9(10,11)12/h3,13H,1,4-8H2,2H3
InChIKeyJHZMEHJGUXXKEE-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.65
Rot. Bonds7

About N'-ethyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-ethyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 62555964) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N'-ethyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID62555964
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC NameN'-ethyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESC=CCNCCN(CC)CC(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-3-5-13-6-7-14(4-2)8-9(10,11)12/h3,13H,1,4-8H2,2H3
InChIKeyJHZMEHJGUXXKEE-UHFFFAOYSA-N
XLogP1.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 62555964) is N'-ethyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is C=CCNCCN(CC)CC(F)(F)F.
What is the InChIKey of N'-ethyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is JHZMEHJGUXXKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-3-5-13-6-7-14(4-2)8-9(10,11)12/h3,13H,1,4-8H2,2H3.
What are the key properties of N'-ethyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-ethyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 210.24 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 62555964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).