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

C7H13F3N2 — CID 79278814

IUPACN-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESC=CCNCCNCC(F)(F)F
InChIInChI=1S/C7H13F3N2/c1-2-3-11-4-5-12-6-7(8,9)10/h2,11-12H,1,3-6H2
InChIKeyCXHMMFXWVHFTBR-UHFFFAOYSA-N
MW182.19 g/mol
LogP0.91
Rot. Bonds6

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

N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 79278814) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID79278814
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC NameN-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESC=CCNCCNCC(F)(F)F
InChIInChI=1S/C7H13F3N2/c1-2-3-11-4-5-12-6-7(8,9)10/h2,11-12H,1,3-6H2
InChIKeyCXHMMFXWVHFTBR-UHFFFAOYSA-N
XLogP0.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 50.91
H-Bond Donors ≤ 52
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-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 79278814) is N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is C=CCNCCNCC(F)(F)F.
What is the InChIKey of N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is CXHMMFXWVHFTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2/c1-2-3-11-4-5-12-6-7(8,9)10/h2,11-12H,1,3-6H2.
What are the key properties of N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 182.19 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 79278814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).