2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-tetracosafluoro-12-methyltridecyl)oxirane

C16H8F24O — CID 18702706

IUPAC2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-tetracosafluoro-12-methyltridecyl)oxirane
SMILESCC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1
InChIInChI=1S/C16H8F24O/c1-5(17,16(38,39)40)7(20,21)9(24,25)11(28,29)13(32,33)15(36,37)14(34,35)12(30,31)10(26,27)8(22,23)6(18,19)2-4-3-41-4/h4H,2-3H2,1H3
InChIKeyYBEUFMHJPCMBSK-UHFFFAOYSA-N
MW672.19 g/mol
LogP8.42
Rot. Bonds12

About 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-tetracosafluoro-12-methyltridecyl)oxirane

2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-tetracosafluoro-12-methyltridecyl)oxirane (PubChem CID 18702706) has the molecular formula C16H8F24O and a molecular weight of 672.19 g/mol. Its IUPAC name is 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-tetracosafluoro-12-methyltridecyl)oxirane.

Molecular Properties

Compound Name2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-tetracosafluoro-12-methyltridecyl)oxirane
PubChem CID18702706
Molecular FormulaC16H8F24O
Molecular Weight672.19 g/mol
Exact Mass672.02
IUPAC Name2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-tetracosafluoro-12-methyltridecyl)oxirane
SMILESCC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1
InChIInChI=1S/C16H8F24O/c1-5(17,16(38,39)40)7(20,21)9(24,25)11(28,29)13(32,33)15(36,37)14(34,35)12(30,31)10(26,27)8(22,23)6(18,19)2-4-3-41-4/h4H,2-3H2,1H3
InChIKeyYBEUFMHJPCMBSK-UHFFFAOYSA-N
XLogP8.42
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.19
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-tetracosafluoro-12-methyltridecyl)oxirane with MolForge

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Related Compounds

2-[2,2,3,3,4,5,5,5-Octafluoro-4-(trifluoromethyl)pentyl]oxirane
CID 2776200
(2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-Hexadecafluoro-8-(trifluoromethyl)nonyl)oxirane
CID 2776238
2-[2,2,3,3,4,4,5,5,6,7,7,7-Dodecafluoro-6-(trifluoromethyl)heptyl]oxirane
CID 2776230
(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-Icosafluoro-10-(trifluoromethyl)undecyl)oxirane
CID 4438230
[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-Tetracosafluoro-12-(trifluoromethyl)tridecyl]oxirane
CID 5743510
(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-Octacosafluoro-14-(trifluoromethyl)pentadecyl)oxirane
CID 103864
[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,17,17,17-Dotriacontafluoro-16-(trifluoromethyl)heptadecyl]oxirane
CID 5743511
(Perfluoro-n-octyl)methyl oxirane
CID 85561887
2-(2,2,3,3,4,5,5,5-Octafluoro-4-methylpentyl)oxirane
CID 18318782
2-(2,2,3,3,4,4,5,6,6,6-Decafluoro-5-methylhexyl)oxirane
CID 18702670
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-Octadecafluoro-9-methyldecyl)oxirane
CID 18702684
2-(2,2,3,3,4,4,5,5,6,7,7,7-Dodecafluoro-6-methylheptyl)oxirane
CID 18702688

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-tetracosafluoro-12-methyltridecyl)oxirane?
The IUPAC name of 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-tetracosafluoro-12-methyltridecyl)oxirane (CID 18702706) is 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-tetracosafluoro-12-methyltridecyl)oxirane.
What is the SMILES notation for 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-tetracosafluoro-12-methyltridecyl)oxirane?
The canonical SMILES for 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-tetracosafluoro-12-methyltridecyl)oxirane is CC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1.
What is the InChIKey of 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-tetracosafluoro-12-methyltridecyl)oxirane?
The InChIKey is YBEUFMHJPCMBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F24O/c1-5(17,16(38,39)40)7(20,21)9(24,25)11(28,29)13(32,33)15(36,37)14(34,35)12(30,31)10(26,27)8(22,23)6(18,19)2-4-3-41-4/h4H,2-3H2,1H3.
What are the key properties of 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-tetracosafluoro-12-methyltridecyl)oxirane?
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-tetracosafluoro-12-methyltridecyl)oxirane has a molecular weight of 672.19 g/mol, XLogP of 8.42, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-tetracosafluoro-12-methyltridecyl)oxirane is sourced from PubChem (CID 18702706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).