2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexacosafluoro-13-methyltetradecyl)oxirane

C17H8F26O — CID 18702704

IUPAC2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexacosafluoro-13-methyltetradecyl)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)C(F)(F)CC1CO1
InChIInChI=1S/C17H8F26O/c1-5(18,17(41,42)43)7(21,22)9(25,26)11(29,30)13(33,34)15(37,38)16(39,40)14(35,36)12(31,32)10(27,28)8(23,24)6(19,20)2-4-3-44-4/h4H,2-3H2,1H3
InChIKeyNOAZXMQRXPKCCC-UHFFFAOYSA-N
MW722.20 g/mol
LogP9.05
Rot. Bonds13

About 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexacosafluoro-13-methyltetradecyl)oxirane

2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexacosafluoro-13-methyltetradecyl)oxirane (PubChem CID 18702704) has the molecular formula C17H8F26O and a molecular weight of 722.20 g/mol. Its IUPAC name is 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexacosafluoro-13-methyltetradecyl)oxirane.

Molecular Properties

Compound Name2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexacosafluoro-13-methyltetradecyl)oxirane
PubChem CID18702704
Molecular FormulaC17H8F26O
Molecular Weight722.20 g/mol
Exact Mass722.02
IUPAC Name2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexacosafluoro-13-methyltetradecyl)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)C(F)(F)CC1CO1
InChIInChI=1S/C17H8F26O/c1-5(18,17(41,42)43)7(21,22)9(25,26)11(29,30)13(33,34)15(37,38)16(39,40)14(35,36)12(31,32)10(27,28)8(23,24)6(19,20)2-4-3-44-4/h4H,2-3H2,1H3
InChIKeyNOAZXMQRXPKCCC-UHFFFAOYSA-N
XLogP9.05
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.20
LogP ≤ 59.05
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-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexacosafluoro-13-methyltetradecyl)oxirane with MolForge

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Related Compounds

(2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-Hexadecafluoro-8-(trifluoromethyl)nonyl)oxirane
CID 2776238
2-[2,2,3,3,4,5,5,5-Octafluoro-4-(trifluoromethyl)pentyl]oxirane
CID 2776200
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-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexacosafluoro-13-methyltetradecyl)oxirane?
The IUPAC name of 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexacosafluoro-13-methyltetradecyl)oxirane (CID 18702704) is 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexacosafluoro-13-methyltetradecyl)oxirane.
What is the SMILES notation for 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexacosafluoro-13-methyltetradecyl)oxirane?
The canonical SMILES for 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexacosafluoro-13-methyltetradecyl)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)C(F)(F)CC1CO1.
What is the InChIKey of 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexacosafluoro-13-methyltetradecyl)oxirane?
The InChIKey is NOAZXMQRXPKCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8F26O/c1-5(18,17(41,42)43)7(21,22)9(25,26)11(29,30)13(33,34)15(37,38)16(39,40)14(35,36)12(31,32)10(27,28)8(23,24)6(19,20)2-4-3-44-4/h4H,2-3H2,1H3.
What are the key properties of 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexacosafluoro-13-methyltetradecyl)oxirane?
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexacosafluoro-13-methyltetradecyl)oxirane has a molecular weight of 722.20 g/mol, XLogP of 9.05, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexacosafluoro-13-methyltetradecyl)oxirane is sourced from PubChem (CID 18702704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).