tris(carbonofluoridic acid);2-methylbutane

C8H15F3O6 — CID 175037504

IUPACtris(carbonofluoridic acid);2-methylbutane
SMILESCCC(C)C.O=C(O)F.O=C(O)F.O=C(O)F
InChIInChI=1S/C5H12.3CHFO2/c1-4-5(2)3;3*2-1(3)4/h5H,4H2,1-3H3;3*(H,3,4)
InChIKeyUUJBYFYQOHBJQG-UHFFFAOYSA-N
MW264.20 g/mol
LogP3.95
Rot. Bonds1

About tris(carbonofluoridic acid);2-methylbutane

tris(carbonofluoridic acid);2-methylbutane (PubChem CID 175037504) has the molecular formula C8H15F3O6 and a molecular weight of 264.20 g/mol. Its IUPAC name is tris(carbonofluoridic acid);2-methylbutane.

Molecular Properties

Compound Nametris(carbonofluoridic acid);2-methylbutane
PubChem CID175037504
Molecular FormulaC8H15F3O6
Molecular Weight264.20 g/mol
Exact Mass264.08
IUPAC Nametris(carbonofluoridic acid);2-methylbutane
SMILESCCC(C)C.O=C(O)F.O=C(O)F.O=C(O)F
InChIInChI=1S/C5H12.3CHFO2/c1-4-5(2)3;3*2-1(3)4/h5H,4H2,1-3H3;3*(H,3,4)
InChIKeyUUJBYFYQOHBJQG-UHFFFAOYSA-N
XLogP3.95
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 53.95
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

acetic acid;2-methylbutane
CID 172862544
ethyl carbonofluoridate;bis(2-methylbutane)
CID 90813116
hexakis(carbonofluoridic acid);methane;propane
CID 175003662
2-methylbutane
CID 158117812
2-methylbutane
CID 159175971
hydroxylamine;2-methylbutane
CID 175063986
dihydroxy(oxo)phosphanium;2-methylbutane
CID 87211582
carbonic acid;3-methylpentane
CID 173481374
butane;carbonic acid;bis(2-methylpropane);propane
CID 175341234
3,3-dimethylbutan-2-one;2-methylbutane
CID 91459434
(2S)-2-aminopropanoic acid;propane-1,1-diamine
CID 88729324
carbonic acid;2-methylpropane
CID 87262286

Frequently Asked Questions

What is the IUPAC name of tris(carbonofluoridic acid);2-methylbutane?
The IUPAC name of tris(carbonofluoridic acid);2-methylbutane (CID 175037504) is tris(carbonofluoridic acid);2-methylbutane.
What is the SMILES notation for tris(carbonofluoridic acid);2-methylbutane?
The canonical SMILES for tris(carbonofluoridic acid);2-methylbutane is CCC(C)C.O=C(O)F.O=C(O)F.O=C(O)F.
What is the InChIKey of tris(carbonofluoridic acid);2-methylbutane?
The InChIKey is UUJBYFYQOHBJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.3CHFO2/c1-4-5(2)3;3*2-1(3)4/h5H,4H2,1-3H3;3*(H,3,4).
What are the key properties of tris(carbonofluoridic acid);2-methylbutane?
tris(carbonofluoridic acid);2-methylbutane has a molecular weight of 264.20 g/mol, XLogP of 3.95, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(carbonofluoridic acid);2-methylbutane is sourced from PubChem (CID 175037504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).