1-N,3-N-dimethyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine

C8H17F3N2 — CID 62428332

IUPAC1-N,3-N-dimethyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
SMILESCNCCC(C)N(C)CC(F)(F)F
InChIInChI=1S/C8H17F3N2/c1-7(4-5-12-2)13(3)6-8(9,10)11/h7,12H,4-6H2,1-3H3
InChIKeySTACDOCCKANGNE-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.48
Rot. Bonds5

About 1-N,3-N-dimethyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine

1-N,3-N-dimethyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine (PubChem CID 62428332) has the molecular formula C8H17F3N2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 1-N,3-N-dimethyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-dimethyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
PubChem CID62428332
Molecular FormulaC8H17F3N2
Molecular Weight198.23 g/mol
Exact Mass198.13
IUPAC Name1-N,3-N-dimethyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
SMILESCNCCC(C)N(C)CC(F)(F)F
InChIInChI=1S/C8H17F3N2/c1-7(4-5-12-2)13(3)6-8(9,10)11/h7,12H,4-6H2,1-3H3
InChIKeySTACDOCCKANGNE-UHFFFAOYSA-N
XLogP1.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dimethyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine?
The IUPAC name of 1-N,3-N-dimethyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine (CID 62428332) is 1-N,3-N-dimethyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N,3-N-dimethyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine?
The canonical SMILES for 1-N,3-N-dimethyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine is CNCCC(C)N(C)CC(F)(F)F.
What is the InChIKey of 1-N,3-N-dimethyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine?
The InChIKey is STACDOCCKANGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2/c1-7(4-5-12-2)13(3)6-8(9,10)11/h7,12H,4-6H2,1-3H3.
What are the key properties of 1-N,3-N-dimethyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine?
1-N,3-N-dimethyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine has a molecular weight of 198.23 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-dimethyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine is sourced from PubChem (CID 62428332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).