3-[[2-(1,1-difluoroethyl)-1,1,3,3-tetrafluoro-2-(fluoromethyl)butoxy]-difluoromethyl]-3-ethyl-2,2,4,4-tetrafluoropentane;fluoromethane

C16H22F14O — CID 91477334

IUPAC3-[[2-(1,1-difluoroethyl)-1,1,3,3-tetrafluoro-2-(fluoromethyl)butoxy]-difluoromethyl]-3-ethyl-2,2,4,4-tetrafluoropentane;fluoromethane
SMILESCCC(C(C)(F)F)(C(C)(F)F)C(F)(F)OC(F)(F)C(CF)(C(C)(F)F)C(C)(F)F.CF
InChIInChI=1S/C15H19F13O.CH3F/c1-6-12(8(2,17)18,9(3,19)20)14(25,26)29-15(27,28)13(7-16,10(4,21)22)11(5,23)24;1-2/h6-7H2,1-5H3;1H3
InChIKeyGMQORKOHQGFZOK-UHFFFAOYSA-N
MW496.32 g/mol
LogP7.75
Rot. Bonds10

About 3-[[2-(1,1-difluoroethyl)-1,1,3,3-tetrafluoro-2-(fluoromethyl)butoxy]-difluoromethyl]-3-ethyl-2,2,4,4-tetrafluoropentane;fluoromethane

3-[[2-(1,1-difluoroethyl)-1,1,3,3-tetrafluoro-2-(fluoromethyl)butoxy]-difluoromethyl]-3-ethyl-2,2,4,4-tetrafluoropentane;fluoromethane (PubChem CID 91477334) has the molecular formula C16H22F14O and a molecular weight of 496.32 g/mol. Its IUPAC name is 3-[[2-(1,1-difluoroethyl)-1,1,3,3-tetrafluoro-2-(fluoromethyl)butoxy]-difluoromethyl]-3-ethyl-2,2,4,4-tetrafluoropentane;fluoromethane.

Molecular Properties

Compound Name3-[[2-(1,1-difluoroethyl)-1,1,3,3-tetrafluoro-2-(fluoromethyl)butoxy]-difluoromethyl]-3-ethyl-2,2,4,4-tetrafluoropentane;fluoromethane
PubChem CID91477334
Molecular FormulaC16H22F14O
Molecular Weight496.32 g/mol
Exact Mass496.14
IUPAC Name3-[[2-(1,1-difluoroethyl)-1,1,3,3-tetrafluoro-2-(fluoromethyl)butoxy]-difluoromethyl]-3-ethyl-2,2,4,4-tetrafluoropentane;fluoromethane
SMILESCCC(C(C)(F)F)(C(C)(F)F)C(F)(F)OC(F)(F)C(CF)(C(C)(F)F)C(C)(F)F.CF
InChIInChI=1S/C15H19F13O.CH3F/c1-6-12(8(2,17)18,9(3,19)20)14(25,26)29-15(27,28)13(7-16,10(4,21)22)11(5,23)24;1-2/h6-7H2,1-5H3;1H3
InChIKeyGMQORKOHQGFZOK-UHFFFAOYSA-N
XLogP7.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.32
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1,1-difluoroethyl)-1,1,3,3-tetrafluoro-2-(fluoromethyl)butoxy]-difluoromethyl]-3-ethyl-2,2,4,4-tetrafluoropentane;fluoromethane?
The IUPAC name of 3-[[2-(1,1-difluoroethyl)-1,1,3,3-tetrafluoro-2-(fluoromethyl)butoxy]-difluoromethyl]-3-ethyl-2,2,4,4-tetrafluoropentane;fluoromethane (CID 91477334) is 3-[[2-(1,1-difluoroethyl)-1,1,3,3-tetrafluoro-2-(fluoromethyl)butoxy]-difluoromethyl]-3-ethyl-2,2,4,4-tetrafluoropentane;fluoromethane.
What is the SMILES notation for 3-[[2-(1,1-difluoroethyl)-1,1,3,3-tetrafluoro-2-(fluoromethyl)butoxy]-difluoromethyl]-3-ethyl-2,2,4,4-tetrafluoropentane;fluoromethane?
The canonical SMILES for 3-[[2-(1,1-difluoroethyl)-1,1,3,3-tetrafluoro-2-(fluoromethyl)butoxy]-difluoromethyl]-3-ethyl-2,2,4,4-tetrafluoropentane;fluoromethane is CCC(C(C)(F)F)(C(C)(F)F)C(F)(F)OC(F)(F)C(CF)(C(C)(F)F)C(C)(F)F.CF.
What is the InChIKey of 3-[[2-(1,1-difluoroethyl)-1,1,3,3-tetrafluoro-2-(fluoromethyl)butoxy]-difluoromethyl]-3-ethyl-2,2,4,4-tetrafluoropentane;fluoromethane?
The InChIKey is GMQORKOHQGFZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F13O.CH3F/c1-6-12(8(2,17)18,9(3,19)20)14(25,26)29-15(27,28)13(7-16,10(4,21)22)11(5,23)24;1-2/h6-7H2,1-5H3;1H3.
What are the key properties of 3-[[2-(1,1-difluoroethyl)-1,1,3,3-tetrafluoro-2-(fluoromethyl)butoxy]-difluoromethyl]-3-ethyl-2,2,4,4-tetrafluoropentane;fluoromethane?
3-[[2-(1,1-difluoroethyl)-1,1,3,3-tetrafluoro-2-(fluoromethyl)butoxy]-difluoromethyl]-3-ethyl-2,2,4,4-tetrafluoropentane;fluoromethane has a molecular weight of 496.32 g/mol, XLogP of 7.75, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1,1-difluoroethyl)-1,1,3,3-tetrafluoro-2-(fluoromethyl)butoxy]-difluoromethyl]-3-ethyl-2,2,4,4-tetrafluoropentane;fluoromethane is sourced from PubChem (CID 91477334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).