(Z)-3,3,3-trifluoro-2-N-methyl-1-N-propan-2-ylprop-1-ene-1,2-diamine

C7H13F3N2 — CID 154953422

IUPAC(Z)-3,3,3-trifluoro-2-N-methyl-1-N-propan-2-ylprop-1-ene-1,2-diamine
SMILESCN/C(=C\NC(C)C)C(F)(F)F
InChIInChI=1S/C7H13F3N2/c1-5(2)12-4-6(11-3)7(8,9)10/h4-5,11-12H,1-3H3/b6-4-
InChIKeyNNERAFQKJQAWNH-XQRVVYSFSA-N
MW182.19 g/mol
LogP1.61
Rot. Bonds3

About (Z)-3,3,3-trifluoro-2-N-methyl-1-N-propan-2-ylprop-1-ene-1,2-diamine

(Z)-3,3,3-trifluoro-2-N-methyl-1-N-propan-2-ylprop-1-ene-1,2-diamine (PubChem CID 154953422) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is (Z)-3,3,3-trifluoro-2-N-methyl-1-N-propan-2-ylprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-3,3,3-trifluoro-2-N-methyl-1-N-propan-2-ylprop-1-ene-1,2-diamine
PubChem CID154953422
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC Name(Z)-3,3,3-trifluoro-2-N-methyl-1-N-propan-2-ylprop-1-ene-1,2-diamine
SMILESCN/C(=C\NC(C)C)C(F)(F)F
InChIInChI=1S/C7H13F3N2/c1-5(2)12-4-6(11-3)7(8,9)10/h4-5,11-12H,1-3H3/b6-4-
InChIKeyNNERAFQKJQAWNH-XQRVVYSFSA-N
XLogP1.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (Z)-3,3,3-trifluoro-2-N-methyl-1-N-propan-2-ylprop-1-ene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3,3,3-trifluoro-2-N-methyl-1-N-propan-2-ylprop-1-ene-1,2-diamine?
The IUPAC name of (Z)-3,3,3-trifluoro-2-N-methyl-1-N-propan-2-ylprop-1-ene-1,2-diamine (CID 154953422) is (Z)-3,3,3-trifluoro-2-N-methyl-1-N-propan-2-ylprop-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-3,3,3-trifluoro-2-N-methyl-1-N-propan-2-ylprop-1-ene-1,2-diamine?
The canonical SMILES for (Z)-3,3,3-trifluoro-2-N-methyl-1-N-propan-2-ylprop-1-ene-1,2-diamine is CN/C(=C\NC(C)C)C(F)(F)F.
What is the InChIKey of (Z)-3,3,3-trifluoro-2-N-methyl-1-N-propan-2-ylprop-1-ene-1,2-diamine?
The InChIKey is NNERAFQKJQAWNH-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H13F3N2/c1-5(2)12-4-6(11-3)7(8,9)10/h4-5,11-12H,1-3H3/b6-4-.
What are the key properties of (Z)-3,3,3-trifluoro-2-N-methyl-1-N-propan-2-ylprop-1-ene-1,2-diamine?
(Z)-3,3,3-trifluoro-2-N-methyl-1-N-propan-2-ylprop-1-ene-1,2-diamine has a molecular weight of 182.19 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,3,3-trifluoro-2-N-methyl-1-N-propan-2-ylprop-1-ene-1,2-diamine is sourced from PubChem (CID 154953422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).