2-[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxymethyl)-3-methyloxetan-2-yl]-3-methyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxymethyl)oxetane

C28H24F30O4 — CID 57297894

About 2-[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxymethyl)-3-methyloxetan-2-yl]-3-methyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxymethyl)oxetane

2-[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxymethyl)-3-methyloxetan-2-yl]-3-methyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxymethyl)oxetane (PubChem CID 57297894) has the molecular formula C28H24F30O4 and a molecular weight of 994.44 g/mol. Its IUPAC name is 2-[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxymethyl)-3-methyloxetan-2-yl]-3-methyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxymethyl)oxetane.

Molecular Properties

• Compound Name: 2-[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxymethyl)-3-methyloxetan-2-yl]-3-methyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxymethyl)oxetane
• PubChem CID: 57297894
• Molecular Formula: C28H24F30O4
• Molecular Weight: 994.44 g/mol
• Exact Mass: 994.12
• IUPAC Name: 2-[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxymethyl)-3-methyloxetan-2-yl]-3-methyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxymethyl)oxetane
• SMILES: CC1(COCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)COC1C1OCC1(C)COCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C28H24F30O4/c1-13(7-59-5-3-15(29,30)17(33,34)19(37,38)21(41,42)22(43,44)24(47,48)26(51,52)28(56,57)58)9-61-11(13)12-14(2,10-62-12)8-60-6-4-16(31,32)18(35,36)20(39,40)23(45,46)25(49,50)27(53,54)55/h11-12H,3-10H2,1-2H3
• InChIKey: ACCVVZZLXOZRBZ-UHFFFAOYSA-N
• XLogP: 11.36
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 21
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	994.44
LogP ≤ 5	11.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxymethyl)-3-methyloxetan-2-yl]-3-methyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxymethyl)oxetane?

The IUPAC name of 2-[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxymethyl)-3-methyloxetan-2-yl]-3-methyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxymethyl)oxetane (CID 57297894) is 2-[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxymethyl)-3-methyloxetan-2-yl]-3-methyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxymethyl)oxetane.

What is the SMILES notation for 2-[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxymethyl)-3-methyloxetan-2-yl]-3-methyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxymethyl)oxetane?

The canonical SMILES for 2-[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxymethyl)-3-methyloxetan-2-yl]-3-methyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxymethyl)oxetane is CC1(COCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)COC1C1OCC1(C)COCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of 2-[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxymethyl)-3-methyloxetan-2-yl]-3-methyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxymethyl)oxetane?

The InChIKey is ACCVVZZLXOZRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F30O4/c1-13(7-59-5-3-15(29,30)17(33,34)19(37,38)21(41,42)22(43,44)24(47,48)26(51,52)28(56,57)58)9-61-11(13)12-14(2,10-62-12)8-60-6-4-16(31,32)18(35,36)20(39,40)23(45,46)25(49,50)27(53,54)55/h11-12H,3-10H2,1-2H3.

What are the key properties of 2-[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxymethyl)-3-methyloxetan-2-yl]-3-methyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxymethyl)oxetane?

2-[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxymethyl)-3-methyloxetan-2-yl]-3-methyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxymethyl)oxetane has a molecular weight of 994.44 g/mol, XLogP of 11.36, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxymethyl)-3-methyloxetan-2-yl]-3-methyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxymethyl)oxetane is sourced from PubChem (CID 57297894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).