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

C11H23F3N2O2 — CID 55126815

IUPACN'-(2-methoxyethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
SMILESCOCCN(C)CCNCCCOCC(F)(F)F
InChIInChI=1S/C11H23F3N2O2/c1-16(7-9-17-2)6-5-15-4-3-8-18-10-11(12,13)14/h15H,3-10H2,1-2H3
InChIKeyBOPICAKFBVRGNI-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.12
Rot. Bonds11

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

N'-(2-methoxyethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine (PubChem CID 55126815) has the molecular formula C11H23F3N2O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
PubChem CID55126815
Molecular FormulaC11H23F3N2O2
Molecular Weight272.31 g/mol
Exact Mass272.17
IUPAC NameN'-(2-methoxyethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
SMILESCOCCN(C)CCNCCCOCC(F)(F)F
InChIInChI=1S/C11H23F3N2O2/c1-16(7-9-17-2)6-5-15-4-3-8-18-10-11(12,13)14/h15H,3-10H2,1-2H3
InChIKeyBOPICAKFBVRGNI-UHFFFAOYSA-N
XLogP1.12
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N-propyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine
CID 62591348
N-(2-methoxyethyl)-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 103208171
N'-ethyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine
CID 62636452
N-(2-fluoroethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 80695332
N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844812
N-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 103208056
4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbutanamide
CID 62843976
N-(3,3-dimethylbutyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62557559
N-cyclopropyl-N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 55002465
N'-(3-ethoxypropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 65175029
N-[3-(2-methoxyethoxy)propyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 103409489
N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
CID 103208163

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine (CID 55126815) is N'-(2-methoxyethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine is COCCN(C)CCNCCCOCC(F)(F)F.
What is the InChIKey of N'-(2-methoxyethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The InChIKey is BOPICAKFBVRGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O2/c1-16(7-9-17-2)6-5-15-4-3-8-18-10-11(12,13)14/h15H,3-10H2,1-2H3.
What are the key properties of N'-(2-methoxyethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
N'-(2-methoxyethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine has a molecular weight of 272.31 g/mol, XLogP of 1.12, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine is sourced from PubChem (CID 55126815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).