1-bromo-3-[1-(2,2-difluoroethoxy)-2-iodoethyl]benzene

C10H10BrF2IO — CID 114774748

IUPAC1-bromo-3-[1-(2,2-difluoroethoxy)-2-iodoethyl]benzene
SMILESFC(F)COC(CI)c1cccc(Br)c1
InChIInChI=1S/C10H10BrF2IO/c11-8-3-1-2-7(4-8)9(5-14)15-6-10(12)13/h1-4,9-10H,5-6H2
InChIKeyGLHSIDNMSOTZTG-UHFFFAOYSA-N
MW390.99 g/mol
LogP4.21
Rot. Bonds5

About 1-bromo-3-[1-(2,2-difluoroethoxy)-2-iodoethyl]benzene

1-bromo-3-[1-(2,2-difluoroethoxy)-2-iodoethyl]benzene (PubChem CID 114774748) has the molecular formula C10H10BrF2IO and a molecular weight of 390.99 g/mol. Its IUPAC name is 1-bromo-3-[1-(2,2-difluoroethoxy)-2-iodoethyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[1-(2,2-difluoroethoxy)-2-iodoethyl]benzene
PubChem CID114774748
Molecular FormulaC10H10BrF2IO
Molecular Weight390.99 g/mol
Exact Mass389.89
IUPAC Name1-bromo-3-[1-(2,2-difluoroethoxy)-2-iodoethyl]benzene
SMILESFC(F)COC(CI)c1cccc(Br)c1
InChIInChI=1S/C10H10BrF2IO/c11-8-3-1-2-7(4-8)9(5-14)15-6-10(12)13/h1-4,9-10H,5-6H2
InChIKeyGLHSIDNMSOTZTG-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.99
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2,2-difluoroethoxy)-2-iodoethyl]-3-fluorobenzene
CID 114774714
1-bromo-3-[2-iodo-1-(3-methylbutoxy)ethyl]benzene
CID 114772930
1-bromo-3-[1-(2-cyclobutylethoxy)-2-iodoethyl]benzene
CID 106204833
1-bromo-3-(2-iodo-1-pentan-3-yloxyethyl)benzene
CID 165489558
1-bromo-3-[2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene
CID 114774280
1-bromo-3-(1-fluoroethyl)benzene;ethane
CID 143612621
1-(3-bromophenyl)-2,2-difluoroethanamine
CID 84699210
1-(3-bromophenyl)-N-[2-(2,2-difluoroethoxy)ethyl]propan-1-amine
CID 103082647
2-(3-bromophenyl)-2-(cyclopentylmethoxy)ethanamine
CID 66323008
2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]ethanamine
CID 82828633
[(1R)-2-bromo-1-(3-bromophenyl)ethoxy]-trimethylsilane
CID 129406642
N-[2-(3-bromophenyl)-2-(cyclopropylmethoxy)ethyl]cyclopropanamine
CID 62108746

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[1-(2,2-difluoroethoxy)-2-iodoethyl]benzene?
The IUPAC name of 1-bromo-3-[1-(2,2-difluoroethoxy)-2-iodoethyl]benzene (CID 114774748) is 1-bromo-3-[1-(2,2-difluoroethoxy)-2-iodoethyl]benzene.
What is the SMILES notation for 1-bromo-3-[1-(2,2-difluoroethoxy)-2-iodoethyl]benzene?
The canonical SMILES for 1-bromo-3-[1-(2,2-difluoroethoxy)-2-iodoethyl]benzene is FC(F)COC(CI)c1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-[1-(2,2-difluoroethoxy)-2-iodoethyl]benzene?
The InChIKey is GLHSIDNMSOTZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2IO/c11-8-3-1-2-7(4-8)9(5-14)15-6-10(12)13/h1-4,9-10H,5-6H2.
What are the key properties of 1-bromo-3-[1-(2,2-difluoroethoxy)-2-iodoethyl]benzene?
1-bromo-3-[1-(2,2-difluoroethoxy)-2-iodoethyl]benzene has a molecular weight of 390.99 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[1-(2,2-difluoroethoxy)-2-iodoethyl]benzene is sourced from PubChem (CID 114774748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).