1-N-methyl-2-N-(2,2,2-trifluoroethyl)prop-2-ene-1,2-diamine

C6H11F3N2 — CID 156795940

IUPAC1-N-methyl-2-N-(2,2,2-trifluoroethyl)prop-2-ene-1,2-diamine
SMILESC=C(CNC)NCC(F)(F)F
InChIInChI=1S/C6H11F3N2/c1-5(3-10-2)11-4-6(7,8)9/h10-11H,1,3-4H2,2H3
InChIKeyVWCXKWKNBKKGOX-UHFFFAOYSA-N
MW168.16 g/mol
LogP0.87
Rot. Bonds4

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

1-N-methyl-2-N-(2,2,2-trifluoroethyl)prop-2-ene-1,2-diamine (PubChem CID 156795940) has the molecular formula C6H11F3N2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 1-N-methyl-2-N-(2,2,2-trifluoroethyl)prop-2-ene-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-2-N-(2,2,2-trifluoroethyl)prop-2-ene-1,2-diamine
PubChem CID156795940
Molecular FormulaC6H11F3N2
Molecular Weight168.16 g/mol
Exact Mass168.09
IUPAC Name1-N-methyl-2-N-(2,2,2-trifluoroethyl)prop-2-ene-1,2-diamine
SMILESC=C(CNC)NCC(F)(F)F
InChIInChI=1S/C6H11F3N2/c1-5(3-10-2)11-4-6(7,8)9/h10-11H,1,3-4H2,2H3
InChIKeyVWCXKWKNBKKGOX-UHFFFAOYSA-N
XLogP0.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-2-N-(2,2,2-trifluoroethyl)prop-2-ene-1,2-diamine?
The IUPAC name of 1-N-methyl-2-N-(2,2,2-trifluoroethyl)prop-2-ene-1,2-diamine (CID 156795940) is 1-N-methyl-2-N-(2,2,2-trifluoroethyl)prop-2-ene-1,2-diamine.
What is the SMILES notation for 1-N-methyl-2-N-(2,2,2-trifluoroethyl)prop-2-ene-1,2-diamine?
The canonical SMILES for 1-N-methyl-2-N-(2,2,2-trifluoroethyl)prop-2-ene-1,2-diamine is C=C(CNC)NCC(F)(F)F.
What is the InChIKey of 1-N-methyl-2-N-(2,2,2-trifluoroethyl)prop-2-ene-1,2-diamine?
The InChIKey is VWCXKWKNBKKGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2/c1-5(3-10-2)11-4-6(7,8)9/h10-11H,1,3-4H2,2H3.
What are the key properties of 1-N-methyl-2-N-(2,2,2-trifluoroethyl)prop-2-ene-1,2-diamine?
1-N-methyl-2-N-(2,2,2-trifluoroethyl)prop-2-ene-1,2-diamine has a molecular weight of 168.16 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-2-N-(2,2,2-trifluoroethyl)prop-2-ene-1,2-diamine is sourced from PubChem (CID 156795940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).