(3-carbonofluoridoyloxy-2,2-dimethylpropyl) carbonofluoridate

C7H10F2O4 — CID 126746159

IUPAC(3-carbonofluoridoyloxy-2,2-dimethylpropyl) carbonofluoridate
SMILESCC(C)(COC(=O)F)COC(=O)F
InChIInChI=1S/C7H10F2O4/c1-7(2,3-12-5(8)10)4-13-6(9)11/h3-4H2,1-2H3
InChIKeyOOZMCFDLYFADAL-UHFFFAOYSA-N
MW196.15 g/mol
LogP2.22
Rot. Bonds4

About (3-carbonofluoridoyloxy-2,2-dimethylpropyl) carbonofluoridate

(3-carbonofluoridoyloxy-2,2-dimethylpropyl) carbonofluoridate (PubChem CID 126746159) has the molecular formula C7H10F2O4 and a molecular weight of 196.15 g/mol. Its IUPAC name is (3-carbonofluoridoyloxy-2,2-dimethylpropyl) carbonofluoridate.

Molecular Properties

Compound Name(3-carbonofluoridoyloxy-2,2-dimethylpropyl) carbonofluoridate
PubChem CID126746159
Molecular FormulaC7H10F2O4
Molecular Weight196.15 g/mol
Exact Mass196.05
IUPAC Name(3-carbonofluoridoyloxy-2,2-dimethylpropyl) carbonofluoridate
SMILESCC(C)(COC(=O)F)COC(=O)F
InChIInChI=1S/C7H10F2O4/c1-7(2,3-12-5(8)10)4-13-6(9)11/h3-4H2,1-2H3
InChIKeyOOZMCFDLYFADAL-UHFFFAOYSA-N
XLogP2.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.15
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-carbonofluoridoyloxy-2,2-dimethylpropyl) carbonofluoridate?
The IUPAC name of (3-carbonofluoridoyloxy-2,2-dimethylpropyl) carbonofluoridate (CID 126746159) is (3-carbonofluoridoyloxy-2,2-dimethylpropyl) carbonofluoridate.
What is the SMILES notation for (3-carbonofluoridoyloxy-2,2-dimethylpropyl) carbonofluoridate?
The canonical SMILES for (3-carbonofluoridoyloxy-2,2-dimethylpropyl) carbonofluoridate is CC(C)(COC(=O)F)COC(=O)F.
What is the InChIKey of (3-carbonofluoridoyloxy-2,2-dimethylpropyl) carbonofluoridate?
The InChIKey is OOZMCFDLYFADAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O4/c1-7(2,3-12-5(8)10)4-13-6(9)11/h3-4H2,1-2H3.
What are the key properties of (3-carbonofluoridoyloxy-2,2-dimethylpropyl) carbonofluoridate?
(3-carbonofluoridoyloxy-2,2-dimethylpropyl) carbonofluoridate has a molecular weight of 196.15 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbonofluoridoyloxy-2,2-dimethylpropyl) carbonofluoridate is sourced from PubChem (CID 126746159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).