3-(1,1-difluoroethyl)-3-[[2-(1,1-difluoroethyl)-2-ethyl-1,1,3,3-tetrafluorobutoxy]-difluoromethyl]-2,2,4,4-tetrafluoropentane

C16H20F14O — CID 59156988

IUPAC3-(1,1-difluoroethyl)-3-[[2-(1,1-difluoroethyl)-2-ethyl-1,1,3,3-tetrafluorobutoxy]-difluoromethyl]-2,2,4,4-tetrafluoropentane
SMILESCCC(C(C)(F)F)(C(C)(F)F)C(F)(F)OC(F)(F)C(C(C)(F)F)(C(C)(F)F)C(C)(F)F
InChIInChI=1S/C16H20F14O/c1-7-13(8(2,17)18,9(3,19)20)15(27,28)31-16(29,30)14(10(4,21)22,11(5,23)24)12(6,25)26/h7H2,1-6H3
InChIKeyLQIZRSIRDQDTQZ-UHFFFAOYSA-N
MW494.31 g/mol
LogP7.85
Rot. Bonds10

About 3-(1,1-difluoroethyl)-3-[[2-(1,1-difluoroethyl)-2-ethyl-1,1,3,3-tetrafluorobutoxy]-difluoromethyl]-2,2,4,4-tetrafluoropentane

3-(1,1-difluoroethyl)-3-[[2-(1,1-difluoroethyl)-2-ethyl-1,1,3,3-tetrafluorobutoxy]-difluoromethyl]-2,2,4,4-tetrafluoropentane (PubChem CID 59156988) has the molecular formula C16H20F14O and a molecular weight of 494.31 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-3-[[2-(1,1-difluoroethyl)-2-ethyl-1,1,3,3-tetrafluorobutoxy]-difluoromethyl]-2,2,4,4-tetrafluoropentane.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-3-[[2-(1,1-difluoroethyl)-2-ethyl-1,1,3,3-tetrafluorobutoxy]-difluoromethyl]-2,2,4,4-tetrafluoropentane
PubChem CID59156988
Molecular FormulaC16H20F14O
Molecular Weight494.31 g/mol
Exact Mass494.13
IUPAC Name3-(1,1-difluoroethyl)-3-[[2-(1,1-difluoroethyl)-2-ethyl-1,1,3,3-tetrafluorobutoxy]-difluoromethyl]-2,2,4,4-tetrafluoropentane
SMILESCCC(C(C)(F)F)(C(C)(F)F)C(F)(F)OC(F)(F)C(C(C)(F)F)(C(C)(F)F)C(C)(F)F
InChIInChI=1S/C16H20F14O/c1-7-13(8(2,17)18,9(3,19)20)15(27,28)31-16(29,30)14(10(4,21)22,11(5,23)24)12(6,25)26/h7H2,1-6H3
InChIKeyLQIZRSIRDQDTQZ-UHFFFAOYSA-N
XLogP7.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.31
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(1,1-difluoroethyl)-3-[[2-(1,1-difluoroethyl)-2-ethyl-1,1,3,3-tetrafluorobutoxy]-difluoromethyl]-2,2,4,4-tetrafluoropentane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-3-[[2-(1,1-difluoroethyl)-2-ethyl-1,1,3,3-tetrafluorobutoxy]-difluoromethyl]-2,2,4,4-tetrafluoropentane?
The IUPAC name of 3-(1,1-difluoroethyl)-3-[[2-(1,1-difluoroethyl)-2-ethyl-1,1,3,3-tetrafluorobutoxy]-difluoromethyl]-2,2,4,4-tetrafluoropentane (CID 59156988) is 3-(1,1-difluoroethyl)-3-[[2-(1,1-difluoroethyl)-2-ethyl-1,1,3,3-tetrafluorobutoxy]-difluoromethyl]-2,2,4,4-tetrafluoropentane.
What is the SMILES notation for 3-(1,1-difluoroethyl)-3-[[2-(1,1-difluoroethyl)-2-ethyl-1,1,3,3-tetrafluorobutoxy]-difluoromethyl]-2,2,4,4-tetrafluoropentane?
The canonical SMILES for 3-(1,1-difluoroethyl)-3-[[2-(1,1-difluoroethyl)-2-ethyl-1,1,3,3-tetrafluorobutoxy]-difluoromethyl]-2,2,4,4-tetrafluoropentane is CCC(C(C)(F)F)(C(C)(F)F)C(F)(F)OC(F)(F)C(C(C)(F)F)(C(C)(F)F)C(C)(F)F.
What is the InChIKey of 3-(1,1-difluoroethyl)-3-[[2-(1,1-difluoroethyl)-2-ethyl-1,1,3,3-tetrafluorobutoxy]-difluoromethyl]-2,2,4,4-tetrafluoropentane?
The InChIKey is LQIZRSIRDQDTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F14O/c1-7-13(8(2,17)18,9(3,19)20)15(27,28)31-16(29,30)14(10(4,21)22,11(5,23)24)12(6,25)26/h7H2,1-6H3.
What are the key properties of 3-(1,1-difluoroethyl)-3-[[2-(1,1-difluoroethyl)-2-ethyl-1,1,3,3-tetrafluorobutoxy]-difluoromethyl]-2,2,4,4-tetrafluoropentane?
3-(1,1-difluoroethyl)-3-[[2-(1,1-difluoroethyl)-2-ethyl-1,1,3,3-tetrafluorobutoxy]-difluoromethyl]-2,2,4,4-tetrafluoropentane has a molecular weight of 494.31 g/mol, XLogP of 7.85, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-3-[[2-(1,1-difluoroethyl)-2-ethyl-1,1,3,3-tetrafluorobutoxy]-difluoromethyl]-2,2,4,4-tetrafluoropentane is sourced from PubChem (CID 59156988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).