N'-(2,2-difluoroethyl)-N-(2-methoxyethyl)ethane-1,2-diamine

C7H16F2N2O — CID 115407469

IUPACN'-(2,2-difluoroethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCNCCNCC(F)F
InChIInChI=1S/C7H16F2N2O/c1-12-5-4-10-2-3-11-6-7(8)9/h7,10-11H,2-6H2,1H3
InChIKeyBTUFTBBICYSGIY-UHFFFAOYSA-N
MW182.21 g/mol
LogP0.08
Rot. Bonds8

About N'-(2,2-difluoroethyl)-N-(2-methoxyethyl)ethane-1,2-diamine

N'-(2,2-difluoroethyl)-N-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 115407469) has the molecular formula C7H16F2N2O and a molecular weight of 182.21 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID115407469
Molecular FormulaC7H16F2N2O
Molecular Weight182.21 g/mol
Exact Mass182.12
IUPAC NameN'-(2,2-difluoroethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCNCCNCC(F)F
InChIInChI=1S/C7H16F2N2O/c1-12-5-4-10-2-3-11-6-7(8)9/h7,10-11H,2-6H2,1H3
InChIKeyBTUFTBBICYSGIY-UHFFFAOYSA-N
XLogP0.08
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 50.08
H-Bond Donors ≤ 52
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'-(2,2-difluoroethyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,2-difluoroethyl)-N-(2-methoxyethyl)ethane-1,2-diamine (CID 115407469) is N'-(2,2-difluoroethyl)-N-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,2-difluoroethyl)-N-(2-methoxyethyl)ethane-1,2-diamine is COCCNCCNCC(F)F.
What is the InChIKey of N'-(2,2-difluoroethyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is BTUFTBBICYSGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F2N2O/c1-12-5-4-10-2-3-11-6-7(8)9/h7,10-11H,2-6H2,1H3.
What are the key properties of N'-(2,2-difluoroethyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
N'-(2,2-difluoroethyl)-N-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 182.21 g/mol, XLogP of 0.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-N-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 115407469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).