ethene;methane;methoxyethene;prop-1-ene;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;3,3,3-trifluoro-2-methoxyprop-1-ene;bis(3,3,3-trifluoroprop-1-ene)

C30H40F22O5 — CID 160774766

IUPACethene;methane;methoxyethene;prop-1-ene;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;3,3,3-trifluoro-2-methoxyprop-1-ene;bis(3,3,3-trifluoroprop-1-ene)
SMILESC.C=C.C=C.C=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(CO)C(F)(F)F.C=C(OC)C(F)(F)F.C=CC.C=CC(F)(F)F.C=CC(F)(F)F.C=COC
InChIInChI=1S/C9H5F13O3.C4H5F3O.2C3H3F3.C3H6O.C3H6.2C2H4.CH4/c1-3(10)5(12,13)25-6(14,8(18,19)20)9(21,22)24-4(11,2-23)7(15,16)17;1-3(8-2)4(5,6)7;2*1-2-3(4,5)6;1-3-4-2;1-3-2;2*1-2;/h23H,1-2H2;1H2,2H3;2*2H,1H2;3H,1H2,2H3;3H,1H2,2H3;2*1-2H2;1H4
InChIKeyRZUKAOOZFKDTIB-UHFFFAOYSA-N
MW898.60 g/mol
LogP13.52
Rot. Bonds9

About ethene;methane;methoxyethene;prop-1-ene;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;3,3,3-trifluoro-2-methoxyprop-1-ene;bis(3,3,3-trifluoroprop-1-ene)

ethene;methane;methoxyethene;prop-1-ene;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;3,3,3-trifluoro-2-methoxyprop-1-ene;bis(3,3,3-trifluoroprop-1-ene) (PubChem CID 160774766) has the molecular formula C30H40F22O5 and a molecular weight of 898.60 g/mol. Its IUPAC name is ethene;methane;methoxyethene;prop-1-ene;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;3,3,3-trifluoro-2-methoxyprop-1-ene;bis(3,3,3-trifluoroprop-1-ene).

Molecular Properties

Compound Nameethene;methane;methoxyethene;prop-1-ene;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;3,3,3-trifluoro-2-methoxyprop-1-ene;bis(3,3,3-trifluoroprop-1-ene)
PubChem CID160774766
Molecular FormulaC30H40F22O5
Molecular Weight898.60 g/mol
Exact Mass898.25
IUPAC Nameethene;methane;methoxyethene;prop-1-ene;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;3,3,3-trifluoro-2-methoxyprop-1-ene;bis(3,3,3-trifluoroprop-1-ene)
SMILESC.C=C.C=C.C=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(CO)C(F)(F)F.C=C(OC)C(F)(F)F.C=CC.C=CC(F)(F)F.C=CC(F)(F)F.C=COC
InChIInChI=1S/C9H5F13O3.C4H5F3O.2C3H3F3.C3H6O.C3H6.2C2H4.CH4/c1-3(10)5(12,13)25-6(14,8(18,19)20)9(21,22)24-4(11,2-23)7(15,16)17;1-3(8-2)4(5,6)7;2*1-2-3(4,5)6;1-3-4-2;1-3-2;2*1-2;/h23H,1-2H2;1H2,2H3;2*2H,1H2;3H,1H2,2H3;3H,1H2,2H3;2*1-2H2;1H4
InChIKeyRZUKAOOZFKDTIB-UHFFFAOYSA-N
XLogP13.52
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.60
LogP ≤ 513.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethene;methane;methoxyethene;prop-1-ene;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;3,3,3-trifluoro-2-methoxyprop-1-ene;bis(3,3,3-trifluoroprop-1-ene) with MolForge

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Related Compounds

2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane;3,3,3-trifluoroprop-1-ene
CID 54541396
2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;3,3,3-trifluoro-2-methoxyprop-1-ene;bis(3,3,3-trifluoroprop-1-ene)
CID 91368792
(E)-1,4-bis[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]but-2-ene;(E)-but-2-ene-1,4-diol;1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane;methane
CID 158491159
1-[3-[3-[3-[2,2-Difluoro-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propoxy]-2,2-difluoropropoxy]-2,2-difluoropropoxy]-2-hydroxypropoxy]-3-prop-2-enoxypropan-2-ol
CID 161645846
1,1,1,2,2,3,3-Heptafluoro-3-(1,2,2-trifluoroethenoxy)propane;1,1,1,2,2,3,3-heptafluoro-3-[1,2,2-trifluoro-2-[3-prop-2-enoxy-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propoxy]ethoxy]propane;methane;3-prop-2-enoxypropane-1,2-diol
CID 161901505
1-[3-[3-[2,2-Difluoro-3-(2-hydroxy-4-prop-2-enoxybutoxy)propoxy]-2,2-difluoropropoxy]-2,2-difluoropropoxy]-4-(2-hydroxyethoxy)butan-2-ol
CID 162049790
1,1,1,2,2,3,3-Heptafluoro-3-(1,2,2-trifluoroethenoxy)propane;1,1,1,2,2,3,3-heptafluoro-3-[1,2,2-trifluoro-2-[3-prop-2-enoxy-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propoxy]ethoxy]propane;3-prop-2-enoxypropane-1,2-diol
CID 163923656
1-[3-[2-[2-[1,1-Difluoro-2-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]ethoxy]-2,2-difluoroethoxy]ethoxy]-2-hydroxypropoxy]-3-(2-prop-2-enoxyethoxy)propan-2-ol
CID 165000685
1-[3-[3-[1,1-Difluoro-3-[2-hydroxy-3-[2-hydroxy-3-(2-prop-2-enoxyethoxy)propoxy]propoxy]propoxy]-1,1,3,3-tetrafluoropropoxy]-3,3-difluoropropoxy]-3-(2-hydroxyethoxy)propan-2-ol
CID 165079483

Frequently Asked Questions

What is the IUPAC name of ethene;methane;methoxyethene;prop-1-ene;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;3,3,3-trifluoro-2-methoxyprop-1-ene;bis(3,3,3-trifluoroprop-1-ene)?
The IUPAC name of ethene;methane;methoxyethene;prop-1-ene;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;3,3,3-trifluoro-2-methoxyprop-1-ene;bis(3,3,3-trifluoroprop-1-ene) (CID 160774766) is ethene;methane;methoxyethene;prop-1-ene;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;3,3,3-trifluoro-2-methoxyprop-1-ene;bis(3,3,3-trifluoroprop-1-ene).
What is the SMILES notation for ethene;methane;methoxyethene;prop-1-ene;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;3,3,3-trifluoro-2-methoxyprop-1-ene;bis(3,3,3-trifluoroprop-1-ene)?
The canonical SMILES for ethene;methane;methoxyethene;prop-1-ene;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;3,3,3-trifluoro-2-methoxyprop-1-ene;bis(3,3,3-trifluoroprop-1-ene) is C.C=C.C=C.C=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(CO)C(F)(F)F.C=C(OC)C(F)(F)F.C=CC.C=CC(F)(F)F.C=CC(F)(F)F.C=COC.
What is the InChIKey of ethene;methane;methoxyethene;prop-1-ene;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;3,3,3-trifluoro-2-methoxyprop-1-ene;bis(3,3,3-trifluoroprop-1-ene)?
The InChIKey is RZUKAOOZFKDTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F13O3.C4H5F3O.2C3H3F3.C3H6O.C3H6.2C2H4.CH4/c1-3(10)5(12,13)25-6(14,8(18,19)20)9(21,22)24-4(11,2-23)7(15,16)17;1-3(8-2)4(5,6)7;2*1-2-3(4,5)6;1-3-4-2;1-3-2;2*1-2;/h23H,1-2H2;1H2,2H3;2*2H,1H2;3H,1H2,2H3;3H,1H2,2H3;2*1-2H2;1H4.
What are the key properties of ethene;methane;methoxyethene;prop-1-ene;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;3,3,3-trifluoro-2-methoxyprop-1-ene;bis(3,3,3-trifluoroprop-1-ene)?
ethene;methane;methoxyethene;prop-1-ene;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;3,3,3-trifluoro-2-methoxyprop-1-ene;bis(3,3,3-trifluoroprop-1-ene) has a molecular weight of 898.60 g/mol, XLogP of 13.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;methane;methoxyethene;prop-1-ene;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;3,3,3-trifluoro-2-methoxyprop-1-ene;bis(3,3,3-trifluoroprop-1-ene) is sourced from PubChem (CID 160774766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).