2-ethyl-2-(fluoromethyl)-N',N'-dimethylpropane-1,3-diamine

C8H19FN2 — CID 142076840

IUPAC2-ethyl-2-(fluoromethyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCCC(CN)(CF)CN(C)C
InChIInChI=1S/C8H19FN2/c1-4-8(5-9,6-10)7-11(2)3/h4-7,10H2,1-3H3
InChIKeyGJNCZBHEFWTQGA-UHFFFAOYSA-N
MW162.25 g/mol
LogP0.87
Rot. Bonds5

About 2-ethyl-2-(fluoromethyl)-N',N'-dimethylpropane-1,3-diamine

2-ethyl-2-(fluoromethyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 142076840) has the molecular formula C8H19FN2 and a molecular weight of 162.25 g/mol. Its IUPAC name is 2-ethyl-2-(fluoromethyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-2-(fluoromethyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID142076840
Molecular FormulaC8H19FN2
Molecular Weight162.25 g/mol
Exact Mass162.15
IUPAC Name2-ethyl-2-(fluoromethyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCCC(CN)(CF)CN(C)C
InChIInChI=1S/C8H19FN2/c1-4-8(5-9,6-10)7-11(2)3/h4-7,10H2,1-3H3
InChIKeyGJNCZBHEFWTQGA-UHFFFAOYSA-N
XLogP0.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(fluoromethyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of 2-ethyl-2-(fluoromethyl)-N',N'-dimethylpropane-1,3-diamine (CID 142076840) is 2-ethyl-2-(fluoromethyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 2-ethyl-2-(fluoromethyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 2-ethyl-2-(fluoromethyl)-N',N'-dimethylpropane-1,3-diamine is CCC(CN)(CF)CN(C)C.
What is the InChIKey of 2-ethyl-2-(fluoromethyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is GJNCZBHEFWTQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19FN2/c1-4-8(5-9,6-10)7-11(2)3/h4-7,10H2,1-3H3.
What are the key properties of 2-ethyl-2-(fluoromethyl)-N',N'-dimethylpropane-1,3-diamine?
2-ethyl-2-(fluoromethyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 162.25 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(fluoromethyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 142076840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).