1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-3-prop-2-enoxypropane

C12H5F19O3 — CID 14766787

IUPAC1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-3-prop-2-enoxypropane
SMILESC=CCOC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H5F19O3/c1-2-3-32-11(28,29)5(15,8(20,21)22)34-12(30,31)6(16,9(23,24)25)33-10(26,27)4(13,14)7(17,18)19/h2H,1,3H2
InChIKeyAUKMNNDRPRREAF-UHFFFAOYSA-N
MW558.13 g/mol
LogP6.65
Rot. Bonds10

About 1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-3-prop-2-enoxypropane

1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-3-prop-2-enoxypropane (PubChem CID 14766787) has the molecular formula C12H5F19O3 and a molecular weight of 558.13 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-3-prop-2-enoxypropane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-3-prop-2-enoxypropane
PubChem CID14766787
Molecular FormulaC12H5F19O3
Molecular Weight558.13 g/mol
Exact Mass557.99
IUPAC Name1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-3-prop-2-enoxypropane
SMILESC=CCOC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H5F19O3/c1-2-3-32-11(28,29)5(15,8(20,21)22)34-12(30,31)6(16,9(23,24)25)33-10(26,27)4(13,14)7(17,18)19/h2H,1,3H2
InChIKeyAUKMNNDRPRREAF-UHFFFAOYSA-N
XLogP6.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.13
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-3-prop-2-enoxypropane with MolForge

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Related Compounds

Allyl heptafluoroisopropyl ether
CID 2735866
3-[2,3,3,3-Tetrafluoro-2-(heptafluoropropoxy)propoxy]prop-1-ene
CID 75412010
1,1,1,2,3,3-Hexafluoro-2-prop-2-enoxypropane
CID 174780343
Ethene;1,1,2,2-tetrafluoroethene;3-(1,1,2,2-tetrafluoroethoxy)prop-1-ene
CID 44146746
1,1,2,2,3,3-Hexafluoro-1,3-bis(prop-2-enoxy)propane
CID 14548675
1,1,1,2,3,3-Hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-prop-2-enoxypropane
CID 14766781
1-[2-(1,1-Difluoro-2-prop-2-enoxyethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4,4-nonafluorobutane
CID 17897661
3-[2,2-Difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]prop-1-ene
CID 17897670
1,1,2,3,3,3-Hexafluoro-2-prop-2-enoxypropan-1-ol
CID 20186793
1,1,1,2,3,3-Hexafluoro-3-(1,1,1,3-tetrafluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane
CID 20802178
1,1,1,2,3,3-Hexafluoro-3-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane
CID 20802179
1,1,1,2-Tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane
CID 20802181

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-3-prop-2-enoxypropane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-3-prop-2-enoxypropane (CID 14766787) is 1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-3-prop-2-enoxypropane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-3-prop-2-enoxypropane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-3-prop-2-enoxypropane is C=CCOC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-3-prop-2-enoxypropane?
The InChIKey is AUKMNNDRPRREAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F19O3/c1-2-3-32-11(28,29)5(15,8(20,21)22)34-12(30,31)6(16,9(23,24)25)33-10(26,27)4(13,14)7(17,18)19/h2H,1,3H2.
What are the key properties of 1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-3-prop-2-enoxypropane?
1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-3-prop-2-enoxypropane has a molecular weight of 558.13 g/mol, XLogP of 6.65, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-3-prop-2-enoxypropane is sourced from PubChem (CID 14766787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).