N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine

C8H17F3N2O — CID 61491337

IUPACN'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
SMILESCN(CCN)CCCOCC(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-13(5-3-12)4-2-6-14-7-8(9,10)11/h2-7,12H2,1H3
InChIKeyXKBIDGYTGKOCJQ-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.85
Rot. Bonds7

About N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine

N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine (PubChem CID 61491337) has the molecular formula C8H17F3N2O and a molecular weight of 214.23 g/mol. Its IUPAC name is N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
PubChem CID61491337
Molecular FormulaC8H17F3N2O
Molecular Weight214.23 g/mol
Exact Mass214.13
IUPAC NameN'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
SMILESCN(CCN)CCCOCC(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-13(5-3-12)4-2-6-14-7-8(9,10)11/h2-7,12H2,1H3
InChIKeyXKBIDGYTGKOCJQ-UHFFFAOYSA-N
XLogP0.85
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine (CID 61491337) is N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine is CN(CCN)CCCOCC(F)(F)F.
What is the InChIKey of N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The InChIKey is XKBIDGYTGKOCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O/c1-13(5-3-12)4-2-6-14-7-8(9,10)11/h2-7,12H2,1H3.
What are the key properties of N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine has a molecular weight of 214.23 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine is sourced from PubChem (CID 61491337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).