2-(difluoromethoxy)ethane-1,1-diamine

C3H8F2N2O — CID 134422080

IUPAC2-(difluoromethoxy)ethane-1,1-diamine
SMILESNC(N)COC(F)F
InChIInChI=1S/C3H8F2N2O/c4-3(5)8-1-2(6)7/h2-3H,1,6-7H2
InChIKeyZWDMFIMKROOYCM-UHFFFAOYSA-N
MW126.11 g/mol
LogP-0.53
Rot. Bonds3

About 2-(difluoromethoxy)ethane-1,1-diamine

2-(difluoromethoxy)ethane-1,1-diamine (PubChem CID 134422080) has the molecular formula C3H8F2N2O and a molecular weight of 126.11 g/mol. Its IUPAC name is 2-(difluoromethoxy)ethane-1,1-diamine.

Molecular Properties

Compound Name2-(difluoromethoxy)ethane-1,1-diamine
PubChem CID134422080
Molecular FormulaC3H8F2N2O
Molecular Weight126.11 g/mol
Exact Mass126.06
IUPAC Name2-(difluoromethoxy)ethane-1,1-diamine
SMILESNC(N)COC(F)F
InChIInChI=1S/C3H8F2N2O/c4-3(5)8-1-2(6)7/h2-3H,1,6-7H2
InChIKeyZWDMFIMKROOYCM-UHFFFAOYSA-N
XLogP-0.53
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)ethane-1,1-diamine?
The IUPAC name of 2-(difluoromethoxy)ethane-1,1-diamine (CID 134422080) is 2-(difluoromethoxy)ethane-1,1-diamine.
What is the SMILES notation for 2-(difluoromethoxy)ethane-1,1-diamine?
The canonical SMILES for 2-(difluoromethoxy)ethane-1,1-diamine is NC(N)COC(F)F.
What is the InChIKey of 2-(difluoromethoxy)ethane-1,1-diamine?
The InChIKey is ZWDMFIMKROOYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8F2N2O/c4-3(5)8-1-2(6)7/h2-3H,1,6-7H2.
What are the key properties of 2-(difluoromethoxy)ethane-1,1-diamine?
2-(difluoromethoxy)ethane-1,1-diamine has a molecular weight of 126.11 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)ethane-1,1-diamine is sourced from PubChem (CID 134422080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).