N,N,N',N'-tetramethyl-2-(trifluoromethyl)propane-1,3-diamine

C8H17F3N2 — CID 123155781

IUPACN,N,N',N'-tetramethyl-2-(trifluoromethyl)propane-1,3-diamine
SMILESCN(C)CC(CN(C)C)C(F)(F)F
InChIInChI=1S/C8H17F3N2/c1-12(2)5-7(6-13(3)4)8(9,10)11/h7H,5-6H2,1-4H3
InChIKeyJWDPQNVIJSZHAG-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.29
Rot. Bonds4

About N,N,N',N'-tetramethyl-2-(trifluoromethyl)propane-1,3-diamine

N,N,N',N'-tetramethyl-2-(trifluoromethyl)propane-1,3-diamine (PubChem CID 123155781) has the molecular formula C8H17F3N2 and a molecular weight of 198.23 g/mol. Its IUPAC name is N,N,N',N'-tetramethyl-2-(trifluoromethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetramethyl-2-(trifluoromethyl)propane-1,3-diamine
PubChem CID123155781
Molecular FormulaC8H17F3N2
Molecular Weight198.23 g/mol
Exact Mass198.13
IUPAC NameN,N,N',N'-tetramethyl-2-(trifluoromethyl)propane-1,3-diamine
SMILESCN(C)CC(CN(C)C)C(F)(F)F
InChIInChI=1S/C8H17F3N2/c1-12(2)5-7(6-13(3)4)8(9,10)11/h7H,5-6H2,1-4H3
InChIKeyJWDPQNVIJSZHAG-UHFFFAOYSA-N
XLogP1.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetramethyl-2-(trifluoromethyl)propane-1,3-diamine?
The IUPAC name of N,N,N',N'-tetramethyl-2-(trifluoromethyl)propane-1,3-diamine (CID 123155781) is N,N,N',N'-tetramethyl-2-(trifluoromethyl)propane-1,3-diamine.
What is the SMILES notation for N,N,N',N'-tetramethyl-2-(trifluoromethyl)propane-1,3-diamine?
The canonical SMILES for N,N,N',N'-tetramethyl-2-(trifluoromethyl)propane-1,3-diamine is CN(C)CC(CN(C)C)C(F)(F)F.
What is the InChIKey of N,N,N',N'-tetramethyl-2-(trifluoromethyl)propane-1,3-diamine?
The InChIKey is JWDPQNVIJSZHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2/c1-12(2)5-7(6-13(3)4)8(9,10)11/h7H,5-6H2,1-4H3.
What are the key properties of N,N,N',N'-tetramethyl-2-(trifluoromethyl)propane-1,3-diamine?
N,N,N',N'-tetramethyl-2-(trifluoromethyl)propane-1,3-diamine has a molecular weight of 198.23 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetramethyl-2-(trifluoromethyl)propane-1,3-diamine is sourced from PubChem (CID 123155781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).