2-N-methyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine

C7H13F3N2 — CID 130290951

IUPAC2-N-methyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine
SMILESC=C(C(C)N)N(C)CC(F)(F)F
InChIInChI=1S/C7H13F3N2/c1-5(11)6(2)12(3)4-7(8,9)10/h5H,2,4,11H2,1,3H3
InChIKeyLYJZHVZEFFKQFK-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.34
Rot. Bonds3

About 2-N-methyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine

2-N-methyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine (PubChem CID 130290951) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine
PubChem CID130290951
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC Name2-N-methyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine
SMILESC=C(C(C)N)N(C)CC(F)(F)F
InChIInChI=1S/C7H13F3N2/c1-5(11)6(2)12(3)4-7(8,9)10/h5H,2,4,11H2,1,3H3
InChIKeyLYJZHVZEFFKQFK-UHFFFAOYSA-N
XLogP1.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine?
The IUPAC name of 2-N-methyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine (CID 130290951) is 2-N-methyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine is C=C(C(C)N)N(C)CC(F)(F)F.
What is the InChIKey of 2-N-methyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine?
The InChIKey is LYJZHVZEFFKQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2/c1-5(11)6(2)12(3)4-7(8,9)10/h5H,2,4,11H2,1,3H3.
What are the key properties of 2-N-methyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine?
2-N-methyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine has a molecular weight of 182.19 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine is sourced from PubChem (CID 130290951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).