2-ethyl-N'-(5,5,5-trifluoropentyl)butane-1,4-diamine

C11H23F3N2 — CID 115520408

IUPAC2-ethyl-N'-(5,5,5-trifluoropentyl)butane-1,4-diamine
SMILESCCC(CN)CCNCCCCC(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-2-10(9-15)5-8-16-7-4-3-6-11(12,13)14/h10,16H,2-9,15H2,1H3
InChIKeyICMJCTNPOOVSJZ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.68
Rot. Bonds9

About 2-ethyl-N'-(5,5,5-trifluoropentyl)butane-1,4-diamine

2-ethyl-N'-(5,5,5-trifluoropentyl)butane-1,4-diamine (PubChem CID 115520408) has the molecular formula C11H23F3N2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-ethyl-N'-(5,5,5-trifluoropentyl)butane-1,4-diamine.

Molecular Properties

Compound Name2-ethyl-N'-(5,5,5-trifluoropentyl)butane-1,4-diamine
PubChem CID115520408
Molecular FormulaC11H23F3N2
Molecular Weight240.31 g/mol
Exact Mass240.18
IUPAC Name2-ethyl-N'-(5,5,5-trifluoropentyl)butane-1,4-diamine
SMILESCCC(CN)CCNCCCCC(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-2-10(9-15)5-8-16-7-4-3-6-11(12,13)14/h10,16H,2-9,15H2,1H3
InChIKeyICMJCTNPOOVSJZ-UHFFFAOYSA-N
XLogP2.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N'-propylbutane-1,4-diamine
CID 81080118
N',2-diethylbutane-1,4-diamine
CID 81080470
3-methyl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine
CID 115520404
N-(3,3-diethoxypropyl)-5,5,5-trifluoropentan-1-amine
CID 113327405
1-N-(4,4,4-trifluorobutyl)butane-1,3-diamine
CID 115520181
3-propan-2-yl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine
CID 115520311
3-propyl-N'-(4,4,4-trifluorobutyl)hexane-1,6-diamine
CID 115520156
2-ethyl-N-(4,4,4-trifluorobutyl)hexan-1-amine
CID 115518505
N-methyl-N'-(4,4,4-trifluorobutyl)butane-1,4-diamine
CID 115520274
2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 81080353
N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513664
3,3-dimethyl-N-(5,5,5-trifluoropentyl)butan-1-amine
CID 115517334

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-(5,5,5-trifluoropentyl)butane-1,4-diamine?
The IUPAC name of 2-ethyl-N'-(5,5,5-trifluoropentyl)butane-1,4-diamine (CID 115520408) is 2-ethyl-N'-(5,5,5-trifluoropentyl)butane-1,4-diamine.
What is the SMILES notation for 2-ethyl-N'-(5,5,5-trifluoropentyl)butane-1,4-diamine?
The canonical SMILES for 2-ethyl-N'-(5,5,5-trifluoropentyl)butane-1,4-diamine is CCC(CN)CCNCCCCC(F)(F)F.
What is the InChIKey of 2-ethyl-N'-(5,5,5-trifluoropentyl)butane-1,4-diamine?
The InChIKey is ICMJCTNPOOVSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2/c1-2-10(9-15)5-8-16-7-4-3-6-11(12,13)14/h10,16H,2-9,15H2,1H3.
What are the key properties of 2-ethyl-N'-(5,5,5-trifluoropentyl)butane-1,4-diamine?
2-ethyl-N'-(5,5,5-trifluoropentyl)butane-1,4-diamine has a molecular weight of 240.31 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-(5,5,5-trifluoropentyl)butane-1,4-diamine is sourced from PubChem (CID 115520408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).