2-(difluoromethoxy)ethanamine;methane

C4H11F2NO — CID 171818995

IUPAC2-(difluoromethoxy)ethanamine;methane
SMILESC.NCCOC(F)F
InChIInChI=1S/C3H7F2NO.CH4/c4-3(5)7-2-1-6;/h3H,1-2,6H2;1H4
InChIKeyWRXQQYXGKGPHPP-UHFFFAOYSA-N
MW127.13 g/mol
LogP0.82
Rot. Bonds3

About 2-(difluoromethoxy)ethanamine;methane

2-(difluoromethoxy)ethanamine;methane (PubChem CID 171818995) has the molecular formula C4H11F2NO and a molecular weight of 127.13 g/mol. Its IUPAC name is 2-(difluoromethoxy)ethanamine;methane.

Molecular Properties

Compound Name2-(difluoromethoxy)ethanamine;methane
PubChem CID171818995
Molecular FormulaC4H11F2NO
Molecular Weight127.13 g/mol
Exact Mass127.08
IUPAC Name2-(difluoromethoxy)ethanamine;methane
SMILESC.NCCOC(F)F
InChIInChI=1S/C3H7F2NO.CH4/c4-3(5)7-2-1-6;/h3H,1-2,6H2;1H4
InChIKeyWRXQQYXGKGPHPP-UHFFFAOYSA-N
XLogP0.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.13
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)ethanamine;methane?
The IUPAC name of 2-(difluoromethoxy)ethanamine;methane (CID 171818995) is 2-(difluoromethoxy)ethanamine;methane.
What is the SMILES notation for 2-(difluoromethoxy)ethanamine;methane?
The canonical SMILES for 2-(difluoromethoxy)ethanamine;methane is C.NCCOC(F)F.
What is the InChIKey of 2-(difluoromethoxy)ethanamine;methane?
The InChIKey is WRXQQYXGKGPHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2NO.CH4/c4-3(5)7-2-1-6;/h3H,1-2,6H2;1H4.
What are the key properties of 2-(difluoromethoxy)ethanamine;methane?
2-(difluoromethoxy)ethanamine;methane has a molecular weight of 127.13 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)ethanamine;methane is sourced from PubChem (CID 171818995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).