1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2,3,3,3-heptafluoropropane

C6F12O2 — CID 175694142

IUPAC1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2,3,3,3-heptafluoropropane
SMILESFC(F)=C(F)OC(F)(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6F12O2/c7-1(8)2(9)19-6(17,18)20-5(15,16)3(10,11)4(12,13)14
InChIKeyOIGQEZWXBXKGMC-UHFFFAOYSA-N
MW332.04 g/mol
LogP4.40
Rot. Bonds5

About 1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2,3,3,3-heptafluoropropane

1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2,3,3,3-heptafluoropropane (PubChem CID 175694142) has the molecular formula C6F12O2 and a molecular weight of 332.04 g/mol. Its IUPAC name is 1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2,3,3,3-heptafluoropropane.

Molecular Properties

Compound Name1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2,3,3,3-heptafluoropropane
PubChem CID175694142
Molecular FormulaC6F12O2
Molecular Weight332.04 g/mol
Exact Mass331.97
IUPAC Name1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2,3,3,3-heptafluoropropane
SMILESFC(F)=C(F)OC(F)(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6F12O2/c7-1(8)2(9)19-6(17,18)20-5(15,16)3(10,11)4(12,13)14
InChIKeyOIGQEZWXBXKGMC-UHFFFAOYSA-N
XLogP4.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.04
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethane
CID 175691538
1-[[[[[[difluoro(1,2,2-trifluoroethenoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-1,2,2-trifluoroethene
CID 175843113
1-[difluoro(trifluoromethoxy)methoxy]-1,2,2-trifluoroethene
CID 71405026
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31-trihexacontafluoro-31-(1,2,2-trifluoroethenoxy)hentriacontane
CID 175893093
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-(1,2,2-trifluoroethenoxy)octane
CID 19837350
2-[difluoro(1,2,2-trifluoroethenoxy)methyl]-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane
CID 121433205
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propane
CID 86252912
1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoro-2-iodoethoxy)-4-(1,2,2-trifluoroethenoxy)butane
CID 175689779
1-(2-chloro-1,1,3,3-tetrafluoroprop-2-enoxy)-1,1,2,2,3,3,3-heptafluoropropane
CID 20525335
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane
CID 10968705
1,1,2,2-tetrafluoro-2-[1,1,2,3,3,4,4,4-octafluoro-1-(1,2,2-trifluoroethenoxy)butan-2-yl]oxyethanesulfonic acid
CID 137353314
2,2,3,3,4,4-hexafluoro-4-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxybutanoic acid
CID 14174315

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2,3,3,3-heptafluoropropane?
The IUPAC name of 1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2,3,3,3-heptafluoropropane (CID 175694142) is 1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2,3,3,3-heptafluoropropane.
What is the SMILES notation for 1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2,3,3,3-heptafluoropropane?
The canonical SMILES for 1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2,3,3,3-heptafluoropropane is FC(F)=C(F)OC(F)(F)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2,3,3,3-heptafluoropropane?
The InChIKey is OIGQEZWXBXKGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F12O2/c7-1(8)2(9)19-6(17,18)20-5(15,16)3(10,11)4(12,13)14.
What are the key properties of 1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2,3,3,3-heptafluoropropane?
1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2,3,3,3-heptafluoropropane has a molecular weight of 332.04 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2,3,3,3-heptafluoropropane is sourced from PubChem (CID 175694142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).