N',N'-diethyl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine

C9H19F3N2 — CID 60684061

IUPACN',N'-diethyl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine
SMILESCCN(CC)CCNCCC(F)(F)F
InChIInChI=1S/C9H19F3N2/c1-3-14(4-2)8-7-13-6-5-9(10,11)12/h13H,3-8H2,1-2H3
InChIKeyCYHJFWKIQMHEPK-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.87
Rot. Bonds7

About N',N'-diethyl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine

N',N'-diethyl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine (PubChem CID 60684061) has the molecular formula C9H19F3N2 and a molecular weight of 212.26 g/mol. Its IUPAC name is N',N'-diethyl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine
PubChem CID60684061
Molecular FormulaC9H19F3N2
Molecular Weight212.26 g/mol
Exact Mass212.15
IUPAC NameN',N'-diethyl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine
SMILESCCN(CC)CCNCCC(F)(F)F
InChIInChI=1S/C9H19F3N2/c1-3-14(4-2)8-7-13-6-5-9(10,11)12/h13H,3-8H2,1-2H3
InChIKeyCYHJFWKIQMHEPK-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine (CID 60684061) is N',N'-diethyl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine is CCN(CC)CCNCCC(F)(F)F.
What is the InChIKey of N',N'-diethyl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine?
The InChIKey is CYHJFWKIQMHEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2/c1-3-14(4-2)8-7-13-6-5-9(10,11)12/h13H,3-8H2,1-2H3.
What are the key properties of N',N'-diethyl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine?
N',N'-diethyl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine has a molecular weight of 212.26 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine is sourced from PubChem (CID 60684061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).