1-[3,3-difluoro-3-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)oxypropyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene

C21H22F10O — CID 121476225

IUPAC1-[3,3-difluoro-3-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)oxypropyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene
SMILESCCCC1=CC=C(CCC(F)(F)OC2=CC=C(CCC)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C21H22F10O/c1-3-5-13-7-8-15(19(26,27)18(13,24)25)11-12-17(22,23)32-16-10-9-14(6-4-2)20(28,29)21(16,30)31/h7-10H,3-6,11-12H2,1-2H3
InChIKeyCAGHOQJPHXEXJB-UHFFFAOYSA-N
MW480.39 g/mol
LogP8.21
Rot. Bonds9

About 1-[3,3-difluoro-3-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)oxypropyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene

1-[3,3-difluoro-3-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)oxypropyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene (PubChem CID 121476225) has the molecular formula C21H22F10O and a molecular weight of 480.39 g/mol. Its IUPAC name is 1-[3,3-difluoro-3-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)oxypropyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-[3,3-difluoro-3-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)oxypropyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene
PubChem CID121476225
Molecular FormulaC21H22F10O
Molecular Weight480.39 g/mol
Exact Mass480.15
IUPAC Name1-[3,3-difluoro-3-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)oxypropyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene
SMILESCCCC1=CC=C(CCC(F)(F)OC2=CC=C(CCC)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C21H22F10O/c1-3-5-13-7-8-15(19(26,27)18(13,24)25)11-12-17(22,23)32-16-10-9-14(6-4-2)20(28,29)21(16,30)31/h7-10H,3-6,11-12H2,1-2H3
InChIKeyCAGHOQJPHXEXJB-UHFFFAOYSA-N
XLogP8.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.39
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3,3-difluoro-3-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)oxypropyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene?
The IUPAC name of 1-[3,3-difluoro-3-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)oxypropyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene (CID 121476225) is 1-[3,3-difluoro-3-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)oxypropyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene.
What is the SMILES notation for 1-[3,3-difluoro-3-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)oxypropyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene?
The canonical SMILES for 1-[3,3-difluoro-3-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)oxypropyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene is CCCC1=CC=C(CCC(F)(F)OC2=CC=C(CCC)C(F)(F)C2(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 1-[3,3-difluoro-3-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)oxypropyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene?
The InChIKey is CAGHOQJPHXEXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F10O/c1-3-5-13-7-8-15(19(26,27)18(13,24)25)11-12-17(22,23)32-16-10-9-14(6-4-2)20(28,29)21(16,30)31/h7-10H,3-6,11-12H2,1-2H3.
What are the key properties of 1-[3,3-difluoro-3-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)oxypropyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene?
1-[3,3-difluoro-3-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)oxypropyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene has a molecular weight of 480.39 g/mol, XLogP of 8.21, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-difluoro-3-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)oxypropyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene is sourced from PubChem (CID 121476225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).