fluoromethane;1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane

C8H10F10O2 — CID 90978442

IUPACfluoromethane;1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane
SMILESCF.FCC(F)(F)C(OCOCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F9O2.CH3F/c8-1-5(9,10)4(7(14,15)16)18-3-17-2-6(11,12)13;1-2/h4H,1-3H2;1H3
InChIKeyFGRSBCXBUGIILY-UHFFFAOYSA-N
MW328.15 g/mol
LogP3.66
Rot. Bonds6

About fluoromethane;1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane

fluoromethane;1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane (PubChem CID 90978442) has the molecular formula C8H10F10O2 and a molecular weight of 328.15 g/mol. Its IUPAC name is fluoromethane;1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane.

Molecular Properties

Compound Namefluoromethane;1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane
PubChem CID90978442
Molecular FormulaC8H10F10O2
Molecular Weight328.15 g/mol
Exact Mass328.05
IUPAC Namefluoromethane;1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane
SMILESCF.FCC(F)(F)C(OCOCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F9O2.CH3F/c8-1-5(9,10)4(7(14,15)16)18-3-17-2-6(11,12)13;1-2/h4H,1-3H2;1H3
InChIKeyFGRSBCXBUGIILY-UHFFFAOYSA-N
XLogP3.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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;1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane?
The IUPAC name of fluoromethane;1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane (CID 90978442) is fluoromethane;1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane.
What is the SMILES notation for fluoromethane;1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane?
The canonical SMILES for fluoromethane;1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane is CF.FCC(F)(F)C(OCOCC(F)(F)F)C(F)(F)F.
What is the InChIKey of fluoromethane;1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane?
The InChIKey is FGRSBCXBUGIILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F9O2.CH3F/c8-1-5(9,10)4(7(14,15)16)18-3-17-2-6(11,12)13;1-2/h4H,1-3H2;1H3.
What are the key properties of fluoromethane;1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane?
fluoromethane;1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane has a molecular weight of 328.15 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane is sourced from PubChem (CID 90978442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).