fluoromethane;1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane;1,1,1-trifluoropropane

C11H14F14O2 — CID 91128668

IUPACfluoromethane;1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane;1,1,1-trifluoropropane
SMILESCCC(F)(F)F.CF.FC(OCOC(CC(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F10O2.C3H5F3.CH3F/c8-4(7(15,16)17)19-2-18-3(6(12,13)14)1-5(9,10)11;1-2-3(4,5)6;1-2/h3-4H,1-2H2;2H2,1H3;1H3
InChIKeyJRRARAVEIYFJFP-UHFFFAOYSA-N
MW444.20 g/mol
LogP6.26
Rot. Bonds5

About fluoromethane;1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane;1,1,1-trifluoropropane

fluoromethane;1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane;1,1,1-trifluoropropane (PubChem CID 91128668) has the molecular formula C11H14F14O2 and a molecular weight of 444.20 g/mol. Its IUPAC name is fluoromethane;1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane;1,1,1-trifluoropropane.

Molecular Properties

Compound Namefluoromethane;1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane;1,1,1-trifluoropropane
PubChem CID91128668
Molecular FormulaC11H14F14O2
Molecular Weight444.20 g/mol
Exact Mass444.08
IUPAC Namefluoromethane;1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane;1,1,1-trifluoropropane
SMILESCCC(F)(F)F.CF.FC(OCOC(CC(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F10O2.C3H5F3.CH3F/c8-4(7(15,16)17)19-2-18-3(6(12,13)14)1-5(9,10)11;1-2-3(4,5)6;1-2/h3-4H,1-2H2;2H2,1H3;1H3
InChIKeyJRRARAVEIYFJFP-UHFFFAOYSA-N
XLogP6.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.20
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoromethane;1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane;1,1,1-trifluoropropane?
The IUPAC name of fluoromethane;1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane;1,1,1-trifluoropropane (CID 91128668) is fluoromethane;1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane;1,1,1-trifluoropropane.
What is the SMILES notation for fluoromethane;1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane;1,1,1-trifluoropropane?
The canonical SMILES for fluoromethane;1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane;1,1,1-trifluoropropane is CCC(F)(F)F.CF.FC(OCOC(CC(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of fluoromethane;1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane;1,1,1-trifluoropropane?
The InChIKey is JRRARAVEIYFJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F10O2.C3H5F3.CH3F/c8-4(7(15,16)17)19-2-18-3(6(12,13)14)1-5(9,10)11;1-2-3(4,5)6;1-2/h3-4H,1-2H2;2H2,1H3;1H3.
What are the key properties of fluoromethane;1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane;1,1,1-trifluoropropane?
fluoromethane;1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane;1,1,1-trifluoropropane has a molecular weight of 444.20 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane;1,1,1-trifluoropropane is sourced from PubChem (CID 91128668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).