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

C10H19F3N2 — CID 62555312

IUPACN'-propan-2-yl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESC=CCNCCN(CC(F)(F)F)C(C)C
InChIInChI=1S/C10H19F3N2/c1-4-5-14-6-7-15(9(2)3)8-10(11,12)13/h4,9,14H,1,5-8H2,2-3H3
InChIKeyAWFDGEZWBCUPBU-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.03
Rot. Bonds7

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

N'-propan-2-yl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 62555312) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is N'-propan-2-yl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-propan-2-yl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID62555312
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC NameN'-propan-2-yl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESC=CCNCCN(CC(F)(F)F)C(C)C
InChIInChI=1S/C10H19F3N2/c1-4-5-14-6-7-15(9(2)3)8-10(11,12)13/h4,9,14H,1,5-8H2,2-3H3
InChIKeyAWFDGEZWBCUPBU-UHFFFAOYSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.03
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'-propan-2-yl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-propan-2-yl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 62555312) is N'-propan-2-yl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-propan-2-yl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-propan-2-yl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is C=CCNCCN(CC(F)(F)F)C(C)C.
What is the InChIKey of N'-propan-2-yl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is AWFDGEZWBCUPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-4-5-14-6-7-15(9(2)3)8-10(11,12)13/h4,9,14H,1,5-8H2,2-3H3.
What are the key properties of N'-propan-2-yl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-propan-2-yl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 224.27 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 62555312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).