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

C11H23F3N2 — CID 166852123

IUPACN'-(4-methylhexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCC(C)CCCN(CCN)CC(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-3-10(2)5-4-7-16(8-6-15)9-11(12,13)14/h10H,3-9,15H2,1-2H3
InChIKeyBIXLTEZZXUGNMF-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.64
Rot. Bonds8

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

N'-(4-methylhexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 166852123) has the molecular formula C11H23F3N2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N'-(4-methylhexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-methylhexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID166852123
Molecular FormulaC11H23F3N2
Molecular Weight240.31 g/mol
Exact Mass240.18
IUPAC NameN'-(4-methylhexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCC(C)CCCN(CCN)CC(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-3-10(2)5-4-7-16(8-6-15)9-11(12,13)14/h10H,3-9,15H2,1-2H3
InChIKeyBIXLTEZZXUGNMF-UHFFFAOYSA-N
XLogP2.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methylhexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(4-methylhexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 166852123) is N'-(4-methylhexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-methylhexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-methylhexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCC(C)CCCN(CCN)CC(F)(F)F.
What is the InChIKey of N'-(4-methylhexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is BIXLTEZZXUGNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2/c1-3-10(2)5-4-7-16(8-6-15)9-11(12,13)14/h10H,3-9,15H2,1-2H3.
What are the key properties of N'-(4-methylhexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-(4-methylhexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 240.31 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylhexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 166852123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).