2-N-ethyl-2-N-(2-ethylbutyl)-3,3,3-trifluoropropane-1,2-diamine

C11H23F3N2 — CID 43752753

IUPAC2-N-ethyl-2-N-(2-ethylbutyl)-3,3,3-trifluoropropane-1,2-diamine
SMILESCCC(CC)CN(CC)C(CN)C(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-4-9(5-2)8-16(6-3)10(7-15)11(12,13)14/h9-10H,4-8,15H2,1-3H3
InChIKeyFATSPSVULKJCJX-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.63
Rot. Bonds7

About 2-N-ethyl-2-N-(2-ethylbutyl)-3,3,3-trifluoropropane-1,2-diamine

2-N-ethyl-2-N-(2-ethylbutyl)-3,3,3-trifluoropropane-1,2-diamine (PubChem CID 43752753) has the molecular formula C11H23F3N2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(2-ethylbutyl)-3,3,3-trifluoropropane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(2-ethylbutyl)-3,3,3-trifluoropropane-1,2-diamine
PubChem CID43752753
Molecular FormulaC11H23F3N2
Molecular Weight240.31 g/mol
Exact Mass240.18
IUPAC Name2-N-ethyl-2-N-(2-ethylbutyl)-3,3,3-trifluoropropane-1,2-diamine
SMILESCCC(CC)CN(CC)C(CN)C(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-4-9(5-2)8-16(6-3)10(7-15)11(12,13)14/h9-10H,4-8,15H2,1-3H3
InChIKeyFATSPSVULKJCJX-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(2-ethylbutyl)-3,3,3-trifluoropropane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(2-ethylbutyl)-3,3,3-trifluoropropane-1,2-diamine (CID 43752753) is 2-N-ethyl-2-N-(2-ethylbutyl)-3,3,3-trifluoropropane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(2-ethylbutyl)-3,3,3-trifluoropropane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(2-ethylbutyl)-3,3,3-trifluoropropane-1,2-diamine is CCC(CC)CN(CC)C(CN)C(F)(F)F.
What is the InChIKey of 2-N-ethyl-2-N-(2-ethylbutyl)-3,3,3-trifluoropropane-1,2-diamine?
The InChIKey is FATSPSVULKJCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2/c1-4-9(5-2)8-16(6-3)10(7-15)11(12,13)14/h9-10H,4-8,15H2,1-3H3.
What are the key properties of 2-N-ethyl-2-N-(2-ethylbutyl)-3,3,3-trifluoropropane-1,2-diamine?
2-N-ethyl-2-N-(2-ethylbutyl)-3,3,3-trifluoropropane-1,2-diamine has a molecular weight of 240.31 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(2-ethylbutyl)-3,3,3-trifluoropropane-1,2-diamine is sourced from PubChem (CID 43752753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).