2,2-difluoro-2-nonoxyacetate

C11H19F2O3- — CID 164747328

IUPAC2,2-difluoro-2-nonoxyacetate
SMILESCCCCCCCCCOC(F)(F)C(=O)[O-]
InChIInChI=1S/C11H20F2O3/c1-2-3-4-5-6-7-8-9-16-11(12,13)10(14)15/h2-9H2,1H3,(H,14,15)/p-1
InChIKeyNYFOFFIGHAWPNS-UHFFFAOYSA-M
MW237.27 g/mol
LogP2.10
Rot. Bonds10

About 2,2-difluoro-2-nonoxyacetate

2,2-difluoro-2-nonoxyacetate (PubChem CID 164747328) has the molecular formula C11H19F2O3- and a molecular weight of 237.27 g/mol. Its IUPAC name is 2,2-difluoro-2-nonoxyacetate.

Molecular Properties

Compound Name2,2-difluoro-2-nonoxyacetate
PubChem CID164747328
Molecular FormulaC11H19F2O3-
Molecular Weight237.27 g/mol
Exact Mass237.13
IUPAC Name2,2-difluoro-2-nonoxyacetate
SMILESCCCCCCCCCOC(F)(F)C(=O)[O-]
InChIInChI=1S/C11H20F2O3/c1-2-3-4-5-6-7-8-9-16-11(12,13)10(14)15/h2-9H2,1H3,(H,14,15)/p-1
InChIKeyNYFOFFIGHAWPNS-UHFFFAOYSA-M
XLogP2.10
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2,2-difluoro-2-heptoxyacetate
CID 66452205
2,2-difluoro-2-octoxyacetohydrazide
CID 63574491
[(2S)-1-docosoxy-1-oxopropan-2-yl]azanium;2,2,2-trifluoroacetate
CID 86655002
decyl 2,2,3,3,3-pentafluoropropanoate
CID 536957
disodium;1-octadecoxyoctadecane;carbonate
CID 175470483
bis(1-hydroperoxytetradecane) dicarbonate
CID 18381164
2-hexoxy-2-methylpropanoic acid
CID 114989010
tricosyl 2,2,2-trifluoroacetate
CID 14574257
dihexyl 2,2-difluoropropanedioate
CID 154336764
2,2-didecoxypropanoic acid
CID 101272673
tetracosyl 2,2,2-trifluoroacetate
CID 91692950
octyl 2,2,2-trifluoroacetate
CID 520219

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-nonoxyacetate?
The IUPAC name of 2,2-difluoro-2-nonoxyacetate (CID 164747328) is 2,2-difluoro-2-nonoxyacetate.
What is the SMILES notation for 2,2-difluoro-2-nonoxyacetate?
The canonical SMILES for 2,2-difluoro-2-nonoxyacetate is CCCCCCCCCOC(F)(F)C(=O)[O-].
What is the InChIKey of 2,2-difluoro-2-nonoxyacetate?
The InChIKey is NYFOFFIGHAWPNS-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H20F2O3/c1-2-3-4-5-6-7-8-9-16-11(12,13)10(14)15/h2-9H2,1H3,(H,14,15)/p-1.
What are the key properties of 2,2-difluoro-2-nonoxyacetate?
2,2-difluoro-2-nonoxyacetate has a molecular weight of 237.27 g/mol, XLogP of 2.10, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-nonoxyacetate is sourced from PubChem (CID 164747328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).