tris(carbonofluoridic acid);fluoromethane

C4H6F4O6 — CID 175227828

IUPACtris(carbonofluoridic acid);fluoromethane
SMILESCF.O=C(O)F.O=C(O)F.O=C(O)F
InChIInChI=1S/3CHFO2.CH3F/c3*2-1(3)4;1-2/h3*(H,3,4);1H3
InChIKeyQWCMIOXQAMFRLS-UHFFFAOYSA-N
MW226.08 g/mol
LogP2.49
Rot. Bonds

About tris(carbonofluoridic acid);fluoromethane

tris(carbonofluoridic acid);fluoromethane (PubChem CID 175227828) has the molecular formula C4H6F4O6 and a molecular weight of 226.08 g/mol. Its IUPAC name is tris(carbonofluoridic acid);fluoromethane.

Molecular Properties

Compound Nametris(carbonofluoridic acid);fluoromethane
PubChem CID175227828
Molecular FormulaC4H6F4O6
Molecular Weight226.08 g/mol
Exact Mass226.01
IUPAC Nametris(carbonofluoridic acid);fluoromethane
SMILESCF.O=C(O)F.O=C(O)F.O=C(O)F
InChIInChI=1S/3CHFO2.CH3F/c3*2-1(3)4;1-2/h3*(H,3,4);1H3
InChIKeyQWCMIOXQAMFRLS-UHFFFAOYSA-N
XLogP2.49
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.08
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 118456839
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CID 157205007
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CID 87262286
hexakis(carbonofluoridic acid);prop-2-enoic acid
CID 175140796
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CID 174688580

Frequently Asked Questions

What is the IUPAC name of tris(carbonofluoridic acid);fluoromethane?
The IUPAC name of tris(carbonofluoridic acid);fluoromethane (CID 175227828) is tris(carbonofluoridic acid);fluoromethane.
What is the SMILES notation for tris(carbonofluoridic acid);fluoromethane?
The canonical SMILES for tris(carbonofluoridic acid);fluoromethane is CF.O=C(O)F.O=C(O)F.O=C(O)F.
What is the InChIKey of tris(carbonofluoridic acid);fluoromethane?
The InChIKey is QWCMIOXQAMFRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/3CHFO2.CH3F/c3*2-1(3)4;1-2/h3*(H,3,4);1H3.
What are the key properties of tris(carbonofluoridic acid);fluoromethane?
tris(carbonofluoridic acid);fluoromethane has a molecular weight of 226.08 g/mol, XLogP of 2.49, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(carbonofluoridic acid);fluoromethane is sourced from PubChem (CID 175227828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).