(2,2-difluoro-3-methoxy-3-oxopropyl)azanium

C4H8F2NO2+ — CID 23526553

IUPAC(2,2-difluoro-3-methoxy-3-oxopropyl)azanium
SMILESCOC(=O)C(F)(F)C[NH3+]
InChIInChI=1S/C4H7F2NO2/c1-9-3(8)4(5,6)2-7/h2,7H2,1H3/p+1
InChIKeyPRKRSICPIDBGPW-UHFFFAOYSA-O
MW140.11 g/mol
LogP-0.96
Rot. Bonds2

About (2,2-difluoro-3-methoxy-3-oxopropyl)azanium

(2,2-difluoro-3-methoxy-3-oxopropyl)azanium (PubChem CID 23526553) has the molecular formula C4H8F2NO2+ and a molecular weight of 140.11 g/mol. Its IUPAC name is (2,2-difluoro-3-methoxy-3-oxopropyl)azanium.

Molecular Properties

Compound Name(2,2-difluoro-3-methoxy-3-oxopropyl)azanium
PubChem CID23526553
Molecular FormulaC4H8F2NO2+
Molecular Weight140.11 g/mol
Exact Mass140.05
IUPAC Name(2,2-difluoro-3-methoxy-3-oxopropyl)azanium
SMILESCOC(=O)C(F)(F)C[NH3+]
InChIInChI=1S/C4H7F2NO2/c1-9-3(8)4(5,6)2-7/h2,7H2,1H3/p+1
InChIKeyPRKRSICPIDBGPW-UHFFFAOYSA-O
XLogP-0.96
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.11
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-3-methoxy-3-oxopropyl)azanium?
The IUPAC name of (2,2-difluoro-3-methoxy-3-oxopropyl)azanium (CID 23526553) is (2,2-difluoro-3-methoxy-3-oxopropyl)azanium.
What is the SMILES notation for (2,2-difluoro-3-methoxy-3-oxopropyl)azanium?
The canonical SMILES for (2,2-difluoro-3-methoxy-3-oxopropyl)azanium is COC(=O)C(F)(F)C[NH3+].
What is the InChIKey of (2,2-difluoro-3-methoxy-3-oxopropyl)azanium?
The InChIKey is PRKRSICPIDBGPW-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H7F2NO2/c1-9-3(8)4(5,6)2-7/h2,7H2,1H3/p+1.
What are the key properties of (2,2-difluoro-3-methoxy-3-oxopropyl)azanium?
(2,2-difluoro-3-methoxy-3-oxopropyl)azanium has a molecular weight of 140.11 g/mol, XLogP of -0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-3-methoxy-3-oxopropyl)azanium is sourced from PubChem (CID 23526553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).