3-[2,2,3,3,4,4-hexafluoro-5-[4-(iodomethyl)oxolan-3-yl]pentyl]-4-(iodomethyl)oxolane

C15H20F6I2O2 — CID 15525132

IUPAC3-[2,2,3,3,4,4-hexafluoro-5-[4-(iodomethyl)oxolan-3-yl]pentyl]-4-(iodomethyl)oxolane
SMILESFC(F)(CC1COCC1CI)C(F)(F)C(F)(F)CC1COCC1CI
InChIInChI=1S/C15H20F6I2O2/c16-13(17,1-9-5-24-7-11(9)3-22)15(20,21)14(18,19)2-10-6-25-8-12(10)4-23/h9-12H,1-8H2
InChIKeyRQGJAPJEMBAQFO-UHFFFAOYSA-N
MW600.12 g/mol
LogP5.07
Rot. Bonds8

About 3-[2,2,3,3,4,4-hexafluoro-5-[4-(iodomethyl)oxolan-3-yl]pentyl]-4-(iodomethyl)oxolane

3-[2,2,3,3,4,4-hexafluoro-5-[4-(iodomethyl)oxolan-3-yl]pentyl]-4-(iodomethyl)oxolane (PubChem CID 15525132) has the molecular formula C15H20F6I2O2 and a molecular weight of 600.12 g/mol. Its IUPAC name is 3-[2,2,3,3,4,4-hexafluoro-5-[4-(iodomethyl)oxolan-3-yl]pentyl]-4-(iodomethyl)oxolane.

Molecular Properties

Compound Name3-[2,2,3,3,4,4-hexafluoro-5-[4-(iodomethyl)oxolan-3-yl]pentyl]-4-(iodomethyl)oxolane
PubChem CID15525132
Molecular FormulaC15H20F6I2O2
Molecular Weight600.12 g/mol
Exact Mass599.95
IUPAC Name3-[2,2,3,3,4,4-hexafluoro-5-[4-(iodomethyl)oxolan-3-yl]pentyl]-4-(iodomethyl)oxolane
SMILESFC(F)(CC1COCC1CI)C(F)(F)C(F)(F)CC1COCC1CI
InChIInChI=1S/C15H20F6I2O2/c16-13(17,1-9-5-24-7-11(9)3-22)15(20,21)14(18,19)2-10-6-25-8-12(10)4-23/h9-12H,1-8H2
InChIKeyRQGJAPJEMBAQFO-UHFFFAOYSA-N
XLogP5.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.12
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-3-(iodomethyl)-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxolane
CID 101190931
3-[2,2-difluoro-3-[4-(iodomethyl)oxolan-3-yl]propyl]-4-(iodomethyl)oxolane
CID 11733800
3-methyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxolane
CID 101115659
3-(bromomethyl)-4-(2,2,3,3-tetrafluorohex-5-enyl)oxolane
CID 10336054
2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)oxirane
CID 173040236
(2R)-2-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)oxirane
CID 89213921
2-(2,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoro-3-methylnonyl)oxirane
CID 19707572
1-(iodomethyl)-2-(trifluoromethyl)cyclopropane
CID 162613655
4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane
CID 138682995
4-(2,2,2-trifluoroethyl)oxolane-3-carboxylic acid
CID 84774751
4-(trifluoromethyl)oxolan-3-amine;hydrochloride
CID 163321398
1,2-bis(iodomethyl)cyclopropane
CID 12695325

Frequently Asked Questions

What is the IUPAC name of 3-[2,2,3,3,4,4-hexafluoro-5-[4-(iodomethyl)oxolan-3-yl]pentyl]-4-(iodomethyl)oxolane?
The IUPAC name of 3-[2,2,3,3,4,4-hexafluoro-5-[4-(iodomethyl)oxolan-3-yl]pentyl]-4-(iodomethyl)oxolane (CID 15525132) is 3-[2,2,3,3,4,4-hexafluoro-5-[4-(iodomethyl)oxolan-3-yl]pentyl]-4-(iodomethyl)oxolane.
What is the SMILES notation for 3-[2,2,3,3,4,4-hexafluoro-5-[4-(iodomethyl)oxolan-3-yl]pentyl]-4-(iodomethyl)oxolane?
The canonical SMILES for 3-[2,2,3,3,4,4-hexafluoro-5-[4-(iodomethyl)oxolan-3-yl]pentyl]-4-(iodomethyl)oxolane is FC(F)(CC1COCC1CI)C(F)(F)C(F)(F)CC1COCC1CI.
What is the InChIKey of 3-[2,2,3,3,4,4-hexafluoro-5-[4-(iodomethyl)oxolan-3-yl]pentyl]-4-(iodomethyl)oxolane?
The InChIKey is RQGJAPJEMBAQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F6I2O2/c16-13(17,1-9-5-24-7-11(9)3-22)15(20,21)14(18,19)2-10-6-25-8-12(10)4-23/h9-12H,1-8H2.
What are the key properties of 3-[2,2,3,3,4,4-hexafluoro-5-[4-(iodomethyl)oxolan-3-yl]pentyl]-4-(iodomethyl)oxolane?
3-[2,2,3,3,4,4-hexafluoro-5-[4-(iodomethyl)oxolan-3-yl]pentyl]-4-(iodomethyl)oxolane has a molecular weight of 600.12 g/mol, XLogP of 5.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2,3,3,4,4-hexafluoro-5-[4-(iodomethyl)oxolan-3-yl]pentyl]-4-(iodomethyl)oxolane is sourced from PubChem (CID 15525132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).