hexakis(carbonofluoridic acid);methane;propane

C10H18F6O12 — CID 175003662

IUPAChexakis(carbonofluoridic acid);methane;propane
SMILESC.CCC.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F
InChIInChI=1S/C3H8.6CHFO2.CH4/c1-3-2;6*2-1(3)4;/h3H2,1-2H3;6*(H,3,4);1H4
InChIKeyIZNHGHICMGLHAJ-UHFFFAOYSA-N
MW444.23 g/mol
LogP5.86
Rot. Bonds

About hexakis(carbonofluoridic acid);methane;propane

hexakis(carbonofluoridic acid);methane;propane (PubChem CID 175003662) has the molecular formula C10H18F6O12 and a molecular weight of 444.23 g/mol. Its IUPAC name is hexakis(carbonofluoridic acid);methane;propane.

Molecular Properties

Compound Namehexakis(carbonofluoridic acid);methane;propane
PubChem CID175003662
Molecular FormulaC10H18F6O12
Molecular Weight444.23 g/mol
Exact Mass444.07
IUPAC Namehexakis(carbonofluoridic acid);methane;propane
SMILESC.CCC.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F
InChIInChI=1S/C3H8.6CHFO2.CH4/c1-3-2;6*2-1(3)4;/h3H2,1-2H3;6*(H,3,4);1H4
InChIKeyIZNHGHICMGLHAJ-UHFFFAOYSA-N
XLogP5.86
TPSA223.80 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500444.23
LogP ≤ 55.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tris(carbonofluoridic acid);fluoromethane
CID 175227828
carbonic acid;propane
CID 87396872
carbonofluoridic acid
CID 118456839
tris(carbonofluoridic acid);2-methylbutane
CID 175037504
carbonofluoridic acid;thorium
CID 88532553
hydrogen peroxide;propane
CID 18348147
acetic acid;azane;propane
CID 173127482
propanoic acid;zirconium
CID 88666887
butane;carbonic acid;bis(2-methylpropane);propane
CID 175341234
propane;propan-2-one
CID 90822370
lithium;hexakis(carbonofluoridic acid);hydride
CID 174993364
carbanide;propanoic acid;zirconium
CID 88665928

Frequently Asked Questions

What is the IUPAC name of hexakis(carbonofluoridic acid);methane;propane?
The IUPAC name of hexakis(carbonofluoridic acid);methane;propane (CID 175003662) is hexakis(carbonofluoridic acid);methane;propane.
What is the SMILES notation for hexakis(carbonofluoridic acid);methane;propane?
The canonical SMILES for hexakis(carbonofluoridic acid);methane;propane is C.CCC.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F.
What is the InChIKey of hexakis(carbonofluoridic acid);methane;propane?
The InChIKey is IZNHGHICMGLHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.6CHFO2.CH4/c1-3-2;6*2-1(3)4;/h3H2,1-2H3;6*(H,3,4);1H4.
What are the key properties of hexakis(carbonofluoridic acid);methane;propane?
hexakis(carbonofluoridic acid);methane;propane has a molecular weight of 444.23 g/mol, XLogP of 5.86, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(carbonofluoridic acid);methane;propane is sourced from PubChem (CID 175003662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).