N,N,N'-trimethyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine

C8H15F3N2 — CID 143006750

IUPACN,N,N'-trimethyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine
SMILESC=C(N(C)CCN(C)C)C(F)(F)F
InChIInChI=1S/C8H15F3N2/c1-7(8(9,10)11)13(4)6-5-12(2)3/h1,5-6H2,2-4H3
InChIKeyBSNNXFHEXPICGE-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.56
Rot. Bonds4

About N,N,N'-trimethyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine

N,N,N'-trimethyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine (PubChem CID 143006750) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine
PubChem CID143006750
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC NameN,N,N'-trimethyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine
SMILESC=C(N(C)CCN(C)C)C(F)(F)F
InChIInChI=1S/C8H15F3N2/c1-7(8(9,10)11)13(4)6-5-12(2)3/h1,5-6H2,2-4H3
InChIKeyBSNNXFHEXPICGE-UHFFFAOYSA-N
XLogP1.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine (CID 143006750) is N,N,N'-trimethyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine is C=C(N(C)CCN(C)C)C(F)(F)F.
What is the InChIKey of N,N,N'-trimethyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine?
The InChIKey is BSNNXFHEXPICGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-7(8(9,10)11)13(4)6-5-12(2)3/h1,5-6H2,2-4H3.
What are the key properties of N,N,N'-trimethyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine?
N,N,N'-trimethyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine has a molecular weight of 196.22 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 143006750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).