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

C10H17F3N2 — CID 62554000

IUPACN'-cyclopropyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESC=CCNCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H17F3N2/c1-2-5-14-6-7-15(9-3-4-9)8-10(11,12)13/h2,9,14H,1,3-8H2
InChIKeyDDJQTZMZVYKAFT-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.79
Rot. Bonds7

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

N'-cyclopropyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 62554000) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N'-cyclopropyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID62554000
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC NameN'-cyclopropyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESC=CCNCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H17F3N2/c1-2-5-14-6-7-15(9-3-4-9)8-10(11,12)13/h2,9,14H,1,3-8H2
InChIKeyDDJQTZMZVYKAFT-UHFFFAOYSA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.79
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'-cyclopropyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 62554000) is N'-cyclopropyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is C=CCNCCN(CC(F)(F)F)C1CC1.
What is the InChIKey of N'-cyclopropyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is DDJQTZMZVYKAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-2-5-14-6-7-15(9-3-4-9)8-10(11,12)13/h2,9,14H,1,3-8H2.
What are the key properties of N'-cyclopropyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-cyclopropyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 222.25 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 62554000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).