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

C11H19F3N2 — CID 62570693

IUPAC2-N-cyclopropyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESC=CCNCC(C)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H19F3N2/c1-3-6-15-7-9(2)16(10-4-5-10)8-11(12,13)14/h3,9-10,15H,1,4-8H2,2H3
InChIKeyPYGHWMXFEXFXLJ-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.18
Rot. Bonds7

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

2-N-cyclopropyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 62570693) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID62570693
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name2-N-cyclopropyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESC=CCNCC(C)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H19F3N2/c1-3-6-15-7-9(2)16(10-4-5-10)8-11(12,13)14/h3,9-10,15H,1,4-8H2,2H3
InChIKeyPYGHWMXFEXFXLJ-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.18
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 2-N-cyclopropyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 62570693) is 2-N-cyclopropyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is C=CCNCC(C)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is PYGHWMXFEXFXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-3-6-15-7-9(2)16(10-4-5-10)8-11(12,13)14/h3,9-10,15H,1,4-8H2,2H3.
What are the key properties of 2-N-cyclopropyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
2-N-cyclopropyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 236.28 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 62570693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).