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

C10H17F3N2 — CID 79260759

IUPACN',N'-bis(prop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESC=CCN(CC=C)CCNCC(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-3-6-15(7-4-2)8-5-14-9-10(11,12)13/h3-4,14H,1-2,5-9H2
InChIKeyIGRSNGPURWDMGR-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.81
Rot. Bonds8

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

N',N'-bis(prop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 79260759) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N',N'-bis(prop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-bis(prop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID79260759
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC NameN',N'-bis(prop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESC=CCN(CC=C)CCNCC(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-3-6-15(7-4-2)8-5-14-9-10(11,12)13/h3-4,14H,1-2,5-9H2
InChIKeyIGRSNGPURWDMGR-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.81
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',N'-bis(prop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N',N'-bis(prop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 79260759) is N',N'-bis(prop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-bis(prop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-bis(prop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is C=CCN(CC=C)CCNCC(F)(F)F.
What is the InChIKey of N',N'-bis(prop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is IGRSNGPURWDMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-3-6-15(7-4-2)8-5-14-9-10(11,12)13/h3-4,14H,1-2,5-9H2.
What are the key properties of N',N'-bis(prop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N',N'-bis(prop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 222.25 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(prop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 79260759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).