bis(carbonofluoridic acid);fluoromethyl carbonofluoridate

C4H4F4O6 — CID 175227827

IUPACbis(carbonofluoridic acid);fluoromethyl carbonofluoridate
SMILESO=C(F)OCF.O=C(O)F.O=C(O)F
InChIInChI=1S/C2H2F2O2.2CHFO2/c3-1-6-2(4)5;2*2-1(3)4/h1H2;2*(H,3,4)
InChIKeyOCRQOUXFPBJZJW-UHFFFAOYSA-N
MW224.06 g/mol
LogP2.29
Rot. Bonds1

About bis(carbonofluoridic acid);fluoromethyl carbonofluoridate

bis(carbonofluoridic acid);fluoromethyl carbonofluoridate (PubChem CID 175227827) has the molecular formula C4H4F4O6 and a molecular weight of 224.06 g/mol. Its IUPAC name is bis(carbonofluoridic acid);fluoromethyl carbonofluoridate.

Molecular Properties

Compound Namebis(carbonofluoridic acid);fluoromethyl carbonofluoridate
PubChem CID175227827
Molecular FormulaC4H4F4O6
Molecular Weight224.06 g/mol
Exact Mass223.99
IUPAC Namebis(carbonofluoridic acid);fluoromethyl carbonofluoridate
SMILESO=C(F)OCF.O=C(O)F.O=C(O)F
InChIInChI=1S/C2H2F2O2.2CHFO2/c3-1-6-2(4)5;2*2-1(3)4/h1H2;2*(H,3,4)
InChIKeyOCRQOUXFPBJZJW-UHFFFAOYSA-N
XLogP2.29
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-carbonofluoridoyloxybut-2-ynyl carbonofluoridate
CID 126736848
carbonofluoridic acid
CID 118456839
2-iodopropyl carbonofluoridate
CID 118465559
carbonofluoridic acid;thorium
CID 88532553
tris(carbonofluoridic acid);fluoromethane
CID 175227828
lithium;hexakis(carbonofluoridic acid);hydride
CID 174993364
hexakis(carbonofluoridic acid);methane;propane
CID 175003662
2-methylpentyl carbonofluoridate
CID 175528242
fluoromethyl (2S)-2,5-diaminopentanoate
CID 22811750
2-(fluoromethoxy)acetic acid
CID 162467662
difluoromethane;sulfuryl difluoride;1,1,2-trifluoro-2-(fluoromethoxy)ethene
CID 159307063
ethyl carbonofluoridate;bis(2-methylbutane)
CID 90813116

Frequently Asked Questions

What is the IUPAC name of bis(carbonofluoridic acid);fluoromethyl carbonofluoridate?
The IUPAC name of bis(carbonofluoridic acid);fluoromethyl carbonofluoridate (CID 175227827) is bis(carbonofluoridic acid);fluoromethyl carbonofluoridate.
What is the SMILES notation for bis(carbonofluoridic acid);fluoromethyl carbonofluoridate?
The canonical SMILES for bis(carbonofluoridic acid);fluoromethyl carbonofluoridate is O=C(F)OCF.O=C(O)F.O=C(O)F.
What is the InChIKey of bis(carbonofluoridic acid);fluoromethyl carbonofluoridate?
The InChIKey is OCRQOUXFPBJZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F2O2.2CHFO2/c3-1-6-2(4)5;2*2-1(3)4/h1H2;2*(H,3,4).
What are the key properties of bis(carbonofluoridic acid);fluoromethyl carbonofluoridate?
bis(carbonofluoridic acid);fluoromethyl carbonofluoridate has a molecular weight of 224.06 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbonofluoridic acid);fluoromethyl carbonofluoridate is sourced from PubChem (CID 175227827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).