N',N'-dibutyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C12H25F3N2 — CID 55085121

IUPACN',N'-dibutyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCCN(CCCC)CCNCC(F)(F)F
InChIInChI=1S/C12H25F3N2/c1-3-5-8-17(9-6-4-2)10-7-16-11-12(13,14)15/h16H,3-11H2,1-2H3
InChIKeyZEYNBCZPMJTBGC-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.04
Rot. Bonds10

About N',N'-dibutyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N',N'-dibutyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 55085121) has the molecular formula C12H25F3N2 and a molecular weight of 254.34 g/mol. Its IUPAC name is N',N'-dibutyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dibutyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID55085121
Molecular FormulaC12H25F3N2
Molecular Weight254.34 g/mol
Exact Mass254.20
IUPAC NameN',N'-dibutyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCCN(CCCC)CCNCC(F)(F)F
InChIInChI=1S/C12H25F3N2/c1-3-5-8-17(9-6-4-2)10-7-16-11-12(13,14)15/h16H,3-11H2,1-2H3
InChIKeyZEYNBCZPMJTBGC-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.04
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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Related Compounds

N-[2-(dibutylamino)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 55085123
N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine
CID 54322779
N'-hexadecyl-N-[2-[hexadecyl(octadecyl)amino]ethyl]-N'-octadecylethane-1,2-diamine
CID 21492340
N'-butyl-N-methyl-N'-[2-(propylamino)ethyl]ethane-1,2-diamine
CID 58312291
N',N'-bis(prop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 79260759
N'-(2-ethoxyethyl)-N'-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 63692867
N'-butyl-N'-ethyl-N-propylethane-1,2-diamine
CID 61386883
N,N',N'-tridodecylethane-1,2-diamine
CID 166798413
N-butyl-N',N'-dipropylethane-1,2-diamine
CID 54806933
N'-ethyl-N-hexyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55089724
N-[2-(2-butoxyethoxy)ethyl]-2,2,2-trifluoroethanamine
CID 62598152
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997

Frequently Asked Questions

What is the IUPAC name of N',N'-dibutyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N',N'-dibutyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 55085121) is N',N'-dibutyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dibutyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dibutyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCCCN(CCCC)CCNCC(F)(F)F.
What is the InChIKey of N',N'-dibutyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is ZEYNBCZPMJTBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2/c1-3-5-8-17(9-6-4-2)10-7-16-11-12(13,14)15/h16H,3-11H2,1-2H3.
What are the key properties of N',N'-dibutyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N',N'-dibutyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 254.34 g/mol, XLogP of 3.04, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 55085121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).