1,1,2,2,3,3-hexafluoro-1-(1,2,2-trifluoroethenoxy)propane

C5HF9O — CID 6365941

IUPAC1,1,2,2,3,3-hexafluoro-1-(1,2,2-trifluoroethenoxy)propane
SMILESFC(F)=C(F)OC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C5HF9O/c6-1(7)2(8)15-5(13,14)4(11,12)3(9)10/h3H
InChIKeyZCOLNYMULWIGPK-UHFFFAOYSA-N
MW248.04 g/mol
LogP3.53
Rot. Bonds4

About 1,1,2,2,3,3-hexafluoro-1-(1,2,2-trifluoroethenoxy)propane

1,1,2,2,3,3-hexafluoro-1-(1,2,2-trifluoroethenoxy)propane (PubChem CID 6365941) has the molecular formula C5HF9O and a molecular weight of 248.04 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-1-(1,2,2-trifluoroethenoxy)propane.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-1-(1,2,2-trifluoroethenoxy)propane
PubChem CID6365941
Molecular FormulaC5HF9O
Molecular Weight248.04 g/mol
Exact Mass247.99
IUPAC Name1,1,2,2,3,3-hexafluoro-1-(1,2,2-trifluoroethenoxy)propane
SMILESFC(F)=C(F)OC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C5HF9O/c6-1(7)2(8)15-5(13,14)4(11,12)3(9)10/h3H
InChIKeyZCOLNYMULWIGPK-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.04
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethane
CID 14150208
bis(1,1,2,2,3,3-hexafluoropropyl) (Z)-but-2-enedioate
CID 87773236
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
1,1,2,2,3,3,4,4-octafluoro-1-(1,2,2-trifluoroethenoxy)pentane
CID 88551399
1,1,2,3,3,4,4,5,5-nonafluoro-5-(1,2,2-trifluoroethenoxy)pent-1-ene
CID 14496010
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
1,1,2,2,3,3,4,4-octafluoro-5-(1,2,2-trifluoroethenoxy)pentane
CID 10018385
1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]prop-1-ene
CID 175690413
2-[difluoro(1,2,2-trifluoroethenoxy)methyl]-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane
CID 121433205
1,1,2,2,3,3,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)butane
CID 88901327
1-[[[[[[difluoro(1,2,2-trifluoroethenoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-1,2,2-trifluoroethene
CID 175843113

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-1-(1,2,2-trifluoroethenoxy)propane?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-1-(1,2,2-trifluoroethenoxy)propane (CID 6365941) is 1,1,2,2,3,3-hexafluoro-1-(1,2,2-trifluoroethenoxy)propane.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-1-(1,2,2-trifluoroethenoxy)propane?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-1-(1,2,2-trifluoroethenoxy)propane is FC(F)=C(F)OC(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-1-(1,2,2-trifluoroethenoxy)propane?
The InChIKey is ZCOLNYMULWIGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF9O/c6-1(7)2(8)15-5(13,14)4(11,12)3(9)10/h3H.
What are the key properties of 1,1,2,2,3,3-hexafluoro-1-(1,2,2-trifluoroethenoxy)propane?
1,1,2,2,3,3-hexafluoro-1-(1,2,2-trifluoroethenoxy)propane has a molecular weight of 248.04 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-1-(1,2,2-trifluoroethenoxy)propane is sourced from PubChem (CID 6365941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).