2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2-tetrafluoropentane

C12H14F12O — CID 87992371

IUPAC2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2-tetrafluoropentane
SMILESCCCC(F)(C(F)(F)F)C(F)(F)OC(F)(F)C(F)(CCC)C(F)(F)F
InChIInChI=1S/C12H14F12O/c1-3-5-7(13,9(15,16)17)11(21,22)25-12(23,24)8(14,6-4-2)10(18,19)20/h3-6H2,1-2H3
InChIKeyQUHVLMKPTDUWRL-UHFFFAOYSA-N
MW402.22 g/mol
LogP6.33
Rot. Bonds8

About 2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2-tetrafluoropentane

2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2-tetrafluoropentane (PubChem CID 87992371) has the molecular formula C12H14F12O and a molecular weight of 402.22 g/mol. Its IUPAC name is 2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2-tetrafluoropentane.

Molecular Properties

Compound Name2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2-tetrafluoropentane
PubChem CID87992371
Molecular FormulaC12H14F12O
Molecular Weight402.22 g/mol
Exact Mass402.09
IUPAC Name2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2-tetrafluoropentane
SMILESCCCC(F)(C(F)(F)F)C(F)(F)OC(F)(F)C(F)(CCC)C(F)(F)F
InChIInChI=1S/C12H14F12O/c1-3-5-7(13,9(15,16)17)11(21,22)25-12(23,24)8(14,6-4-2)10(18,19)20/h3-6H2,1-2H3
InChIKeyQUHVLMKPTDUWRL-UHFFFAOYSA-N
XLogP6.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.22
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane
CID 10798148
1,1,1,2,3,4,5,5,5-Nonafluoro-2-(([2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl]oxy)methyl)-4-(trifluoromethyl)pentane
CID 91743406
1,1,2,2,3,3-Hexafluoro-1-(1,1,2,2,3,3-hexafluoropentoxy)pentane
CID 23511090
2-[Difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane
CID 23557659
2-[Difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane;fluoromethane;1,1,2,2-tetrafluoro-1-(fluoromethoxy)propane
CID 54199223
2-[Difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane;fluoromethane
CID 54203988
2-[Difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane
CID 54203989
2-Butoxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane
CID 58114572
3-Butoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane
CID 58114587
1,1,2,4,4,5-Hexafluoro-1-methoxy-2-methylpentane
CID 58419167
2-[Difluoro(1,1,2,2-tetrafluoropropoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane
CID 58451690
2-(2,2-Difluorobutoxy)-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane
CID 58537739

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2-tetrafluoropentane?
The IUPAC name of 2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2-tetrafluoropentane (CID 87992371) is 2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2-tetrafluoropentane.
What is the SMILES notation for 2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2-tetrafluoropentane?
The canonical SMILES for 2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2-tetrafluoropentane is CCCC(F)(C(F)(F)F)C(F)(F)OC(F)(F)C(F)(CCC)C(F)(F)F.
What is the InChIKey of 2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2-tetrafluoropentane?
The InChIKey is QUHVLMKPTDUWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F12O/c1-3-5-7(13,9(15,16)17)11(21,22)25-12(23,24)8(14,6-4-2)10(18,19)20/h3-6H2,1-2H3.
What are the key properties of 2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2-tetrafluoropentane?
2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2-tetrafluoropentane has a molecular weight of 402.22 g/mol, XLogP of 6.33, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2-tetrafluoropentane is sourced from PubChem (CID 87992371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).