3-[2,2-difluoro-3-[4-(iodomethyl)oxolan-3-yl]propyl]-4-(iodomethyl)oxolane

C13H20F2I2O2 — CID 11733800

IUPAC3-[2,2-difluoro-3-[4-(iodomethyl)oxolan-3-yl]propyl]-4-(iodomethyl)oxolane
SMILESFC(F)(CC1COCC1CI)CC1COCC1CI
InChIInChI=1S/C13H20F2I2O2/c14-13(15,1-9-5-18-7-11(9)3-16)2-10-6-19-8-12(10)4-17/h9-12H,1-8H2
InChIKeyOWDHDMRLYXRHMY-UHFFFAOYSA-N
MW500.11 g/mol
LogP3.80
Rot. Bonds6

About 3-[2,2-difluoro-3-[4-(iodomethyl)oxolan-3-yl]propyl]-4-(iodomethyl)oxolane

3-[2,2-difluoro-3-[4-(iodomethyl)oxolan-3-yl]propyl]-4-(iodomethyl)oxolane (PubChem CID 11733800) has the molecular formula C13H20F2I2O2 and a molecular weight of 500.11 g/mol. Its IUPAC name is 3-[2,2-difluoro-3-[4-(iodomethyl)oxolan-3-yl]propyl]-4-(iodomethyl)oxolane.

Molecular Properties

Compound Name3-[2,2-difluoro-3-[4-(iodomethyl)oxolan-3-yl]propyl]-4-(iodomethyl)oxolane
PubChem CID11733800
Molecular FormulaC13H20F2I2O2
Molecular Weight500.11 g/mol
Exact Mass499.95
IUPAC Name3-[2,2-difluoro-3-[4-(iodomethyl)oxolan-3-yl]propyl]-4-(iodomethyl)oxolane
SMILESFC(F)(CC1COCC1CI)CC1COCC1CI
InChIInChI=1S/C13H20F2I2O2/c14-13(15,1-9-5-18-7-11(9)3-16)2-10-6-19-8-12(10)4-17/h9-12H,1-8H2
InChIKeyOWDHDMRLYXRHMY-UHFFFAOYSA-N
XLogP3.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.11
LogP ≤ 53.80
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'}

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Related Compounds

3-[2,2,3,3,4,4-hexafluoro-5-[4-(iodomethyl)oxolan-3-yl]pentyl]-4-(iodomethyl)oxolane
CID 15525132
(3R,4S)-3-(iodomethyl)-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxolane
CID 101190931
1-(iodomethyl)-2-(trifluoromethyl)cyclopropane
CID 162613655
3-(bromomethyl)-4-(2,2,3,3-tetrafluorohex-5-enyl)oxolane
CID 10336054
4-(2,2,2-trifluoroethyl)oxolane-3-carboxylic acid
CID 84774751
3-methyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxolane
CID 101115659
4-(trifluoromethyl)oxolan-3-amine;hydrochloride
CID 163321398
1,2-bis(iodomethyl)cyclopropane
CID 12695325
methyl 2,2-difluoro-3-(4-methyloxolan-3-yl)propanoate
CID 10465636
4-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
CID 66237706
2-(iodomethyl)-1,4,7,10,13-pentaoxacyclopentadecane
CID 11760168
2-methyl-N-[2-(oxetan-3-yloxy)ethyl]butan-2-amine
CID 102608355

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoro-3-[4-(iodomethyl)oxolan-3-yl]propyl]-4-(iodomethyl)oxolane?
The IUPAC name of 3-[2,2-difluoro-3-[4-(iodomethyl)oxolan-3-yl]propyl]-4-(iodomethyl)oxolane (CID 11733800) is 3-[2,2-difluoro-3-[4-(iodomethyl)oxolan-3-yl]propyl]-4-(iodomethyl)oxolane.
What is the SMILES notation for 3-[2,2-difluoro-3-[4-(iodomethyl)oxolan-3-yl]propyl]-4-(iodomethyl)oxolane?
The canonical SMILES for 3-[2,2-difluoro-3-[4-(iodomethyl)oxolan-3-yl]propyl]-4-(iodomethyl)oxolane is FC(F)(CC1COCC1CI)CC1COCC1CI.
What is the InChIKey of 3-[2,2-difluoro-3-[4-(iodomethyl)oxolan-3-yl]propyl]-4-(iodomethyl)oxolane?
The InChIKey is OWDHDMRLYXRHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2I2O2/c14-13(15,1-9-5-18-7-11(9)3-16)2-10-6-19-8-12(10)4-17/h9-12H,1-8H2.
What are the key properties of 3-[2,2-difluoro-3-[4-(iodomethyl)oxolan-3-yl]propyl]-4-(iodomethyl)oxolane?
3-[2,2-difluoro-3-[4-(iodomethyl)oxolan-3-yl]propyl]-4-(iodomethyl)oxolane has a molecular weight of 500.11 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoro-3-[4-(iodomethyl)oxolan-3-yl]propyl]-4-(iodomethyl)oxolane is sourced from PubChem (CID 11733800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).