2-iodo-1-(methoxymethoxy)-3,5-bis(trifluoromethyl)benzene

C10H7F6IO2 — CID 163198277

IUPAC2-iodo-1-(methoxymethoxy)-3,5-bis(trifluoromethyl)benzene
SMILESCOCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1I
InChIInChI=1S/C10H7F6IO2/c1-18-4-19-7-3-5(9(11,12)13)2-6(8(7)17)10(14,15)16/h2-3H,4H2,1H3
InChIKeyJFTJORVMSXLILF-UHFFFAOYSA-N
MW400.06 g/mol
LogP4.31
Rot. Bonds3

About 2-iodo-1-(methoxymethoxy)-3,5-bis(trifluoromethyl)benzene

2-iodo-1-(methoxymethoxy)-3,5-bis(trifluoromethyl)benzene (PubChem CID 163198277) has the molecular formula C10H7F6IO2 and a molecular weight of 400.06 g/mol. Its IUPAC name is 2-iodo-1-(methoxymethoxy)-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-iodo-1-(methoxymethoxy)-3,5-bis(trifluoromethyl)benzene
PubChem CID163198277
Molecular FormulaC10H7F6IO2
Molecular Weight400.06 g/mol
Exact Mass399.94
IUPAC Name2-iodo-1-(methoxymethoxy)-3,5-bis(trifluoromethyl)benzene
SMILESCOCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1I
InChIInChI=1S/C10H7F6IO2/c1-18-4-19-7-3-5(9(11,12)13)2-6(8(7)17)10(14,15)16/h2-3H,4H2,1H3
InChIKeyJFTJORVMSXLILF-UHFFFAOYSA-N
XLogP4.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.06
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-(methoxymethoxy)-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of 2-iodo-1-(methoxymethoxy)-3,5-bis(trifluoromethyl)benzene (CID 163198277) is 2-iodo-1-(methoxymethoxy)-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 2-iodo-1-(methoxymethoxy)-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 2-iodo-1-(methoxymethoxy)-3,5-bis(trifluoromethyl)benzene is COCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1I.
What is the InChIKey of 2-iodo-1-(methoxymethoxy)-3,5-bis(trifluoromethyl)benzene?
The InChIKey is JFTJORVMSXLILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6IO2/c1-18-4-19-7-3-5(9(11,12)13)2-6(8(7)17)10(14,15)16/h2-3H,4H2,1H3.
What are the key properties of 2-iodo-1-(methoxymethoxy)-3,5-bis(trifluoromethyl)benzene?
2-iodo-1-(methoxymethoxy)-3,5-bis(trifluoromethyl)benzene has a molecular weight of 400.06 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-(methoxymethoxy)-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 163198277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).