N-(4,4,4-trifluorobutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C8H14F6N2 — CID 115520284

IUPACN-(4,4,4-trifluorobutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESFC(F)(F)CCCNCCNCC(F)(F)F
InChIInChI=1S/C8H14F6N2/c9-7(10,11)2-1-3-15-4-5-16-6-8(12,13)14/h15-16H,1-6H2
InChIKeyDENWIEXZTVNIJJ-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.07
Rot. Bonds7

About N-(4,4,4-trifluorobutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N-(4,4,4-trifluorobutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 115520284) has the molecular formula C8H14F6N2 and a molecular weight of 252.20 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID115520284
Molecular FormulaC8H14F6N2
Molecular Weight252.20 g/mol
Exact Mass252.11
IUPAC NameN-(4,4,4-trifluorobutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESFC(F)(F)CCCNCCNCC(F)(F)F
InChIInChI=1S/C8H14F6N2/c9-7(10,11)2-1-3-15-4-5-16-6-8(12,13)14/h15-16H,1-6H2
InChIKeyDENWIEXZTVNIJJ-UHFFFAOYSA-N
XLogP2.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.07
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

N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513664
N'-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115513666
N-methyl-N'-(4,4,4-trifluorobutyl)butane-1,4-diamine
CID 115520274
3,3-dimethyl-N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine
CID 65296229
N-(7-methyloctyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 114004195
4-chloro-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 106844209
4,4,4-trifluoro-N-(2-methylsulfanylethyl)butan-1-amine
CID 115513722
4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine
CID 115513588
N'-tert-butyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115520149
4,4,4-trifluoro-N-(4-methoxybutyl)butan-1-amine
CID 115513641
4-(4,4,4-trifluorobutylamino)butanamide
CID 115513564
N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine
CID 61150221

Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N-(4,4,4-trifluorobutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 115520284) is N-(4,4,4-trifluorobutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(4,4,4-trifluorobutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N-(4,4,4-trifluorobutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is FC(F)(F)CCCNCCNCC(F)(F)F.
What is the InChIKey of N-(4,4,4-trifluorobutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is DENWIEXZTVNIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F6N2/c9-7(10,11)2-1-3-15-4-5-16-6-8(12,13)14/h15-16H,1-6H2.
What are the key properties of N-(4,4,4-trifluorobutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N-(4,4,4-trifluorobutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 252.20 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 115520284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).