2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane

C10H11F11O — CID 54203989

IUPAC2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane
SMILESCCC(CC(C(F)(F)F)C(F)(F)OC(F)(F)CF)C(F)(F)F
InChIInChI=1S/C10H11F11O/c1-2-5(8(14,15)16)3-6(9(17,18)19)10(20,21)22-7(12,13)4-11/h5-6H,2-4H2,1H3
InChIKeyGMQGNWSQEWUEOL-UHFFFAOYSA-N
MW356.18 g/mol
LogP5.32
Rot. Bonds7

About 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane

2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane (PubChem CID 54203989) has the molecular formula C10H11F11O and a molecular weight of 356.18 g/mol. Its IUPAC name is 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane.

Molecular Properties

Compound Name2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane
PubChem CID54203989
Molecular FormulaC10H11F11O
Molecular Weight356.18 g/mol
Exact Mass356.06
IUPAC Name2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane
SMILESCCC(CC(C(F)(F)F)C(F)(F)OC(F)(F)CF)C(F)(F)F
InChIInChI=1S/C10H11F11O/c1-2-5(8(14,15)16)3-6(9(17,18)19)10(20,21)22-7(12,13)4-11/h5-6H,2-4H2,1H3
InChIKeyGMQGNWSQEWUEOL-UHFFFAOYSA-N
XLogP5.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.18
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane?
The IUPAC name of 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane (CID 54203989) is 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane.
What is the SMILES notation for 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane?
The canonical SMILES for 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane is CCC(CC(C(F)(F)F)C(F)(F)OC(F)(F)CF)C(F)(F)F.
What is the InChIKey of 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane?
The InChIKey is GMQGNWSQEWUEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F11O/c1-2-5(8(14,15)16)3-6(9(17,18)19)10(20,21)22-7(12,13)4-11/h5-6H,2-4H2,1H3.
What are the key properties of 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane?
2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane has a molecular weight of 356.18 g/mol, XLogP of 5.32, 7 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-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane is sourced from PubChem (CID 54203989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).