2-(difluoromethoxy)ethanamine;ethane;methane

C6H17F2NO — CID 145131593

IUPAC2-(difluoromethoxy)ethanamine;ethane;methane
SMILESC.CC.NCCOC(F)F
InChIInChI=1S/C3H7F2NO.C2H6.CH4/c4-3(5)7-2-1-6;1-2;/h3H,1-2,6H2;1-2H3;1H4
InChIKeyQRWRUJNLXBSDPK-UHFFFAOYSA-N
MW157.20 g/mol
LogP1.85
Rot. Bonds3

About 2-(difluoromethoxy)ethanamine;ethane;methane

2-(difluoromethoxy)ethanamine;ethane;methane (PubChem CID 145131593) has the molecular formula C6H17F2NO and a molecular weight of 157.20 g/mol. Its IUPAC name is 2-(difluoromethoxy)ethanamine;ethane;methane.

Molecular Properties

Compound Name2-(difluoromethoxy)ethanamine;ethane;methane
PubChem CID145131593
Molecular FormulaC6H17F2NO
Molecular Weight157.20 g/mol
Exact Mass157.13
IUPAC Name2-(difluoromethoxy)ethanamine;ethane;methane
SMILESC.CC.NCCOC(F)F
InChIInChI=1S/C3H7F2NO.C2H6.CH4/c4-3(5)7-2-1-6;1-2;/h3H,1-2,6H2;1-2H3;1H4
InChIKeyQRWRUJNLXBSDPK-UHFFFAOYSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)ethanamine;ethane;methane?
The IUPAC name of 2-(difluoromethoxy)ethanamine;ethane;methane (CID 145131593) is 2-(difluoromethoxy)ethanamine;ethane;methane.
What is the SMILES notation for 2-(difluoromethoxy)ethanamine;ethane;methane?
The canonical SMILES for 2-(difluoromethoxy)ethanamine;ethane;methane is C.CC.NCCOC(F)F.
What is the InChIKey of 2-(difluoromethoxy)ethanamine;ethane;methane?
The InChIKey is QRWRUJNLXBSDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2NO.C2H6.CH4/c4-3(5)7-2-1-6;1-2;/h3H,1-2,6H2;1-2H3;1H4.
What are the key properties of 2-(difluoromethoxy)ethanamine;ethane;methane?
2-(difluoromethoxy)ethanamine;ethane;methane has a molecular weight of 157.20 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)ethanamine;ethane;methane is sourced from PubChem (CID 145131593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).