2-(2,2-difluoropropoxy)-1-fluoro-3-iodobenzene

C9H8F3IO — CID 175686675

IUPAC2-(2,2-difluoropropoxy)-1-fluoro-3-iodobenzene
SMILESCC(F)(F)COc1c(F)cccc1I
InChIInChI=1S/C9H8F3IO/c1-9(11,12)5-14-8-6(10)3-2-4-7(8)13/h2-4H,5H2,1H3
InChIKeyIKHOLPYIZQOHSH-UHFFFAOYSA-N
MW316.06 g/mol
LogP3.46
Rot. Bonds3

About 2-(2,2-difluoropropoxy)-1-fluoro-3-iodobenzene

2-(2,2-difluoropropoxy)-1-fluoro-3-iodobenzene (PubChem CID 175686675) has the molecular formula C9H8F3IO and a molecular weight of 316.06 g/mol. Its IUPAC name is 2-(2,2-difluoropropoxy)-1-fluoro-3-iodobenzene.

Molecular Properties

Compound Name2-(2,2-difluoropropoxy)-1-fluoro-3-iodobenzene
PubChem CID175686675
Molecular FormulaC9H8F3IO
Molecular Weight316.06 g/mol
Exact Mass315.96
IUPAC Name2-(2,2-difluoropropoxy)-1-fluoro-3-iodobenzene
SMILESCC(F)(F)COc1c(F)cccc1I
InChIInChI=1S/C9H8F3IO/c1-9(11,12)5-14-8-6(10)3-2-4-7(8)13/h2-4H,5H2,1H3
InChIKeyIKHOLPYIZQOHSH-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.06
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-(2-fluoro-6-iodophenoxy)butyl]carbamate
CID 175686691
1-(bromomethyl)-3-fluoro-2-(2,2,2-trifluoroethoxy)benzene
CID 112614053
3-iodo-2-(2,2,2-trifluoroethoxy)benzonitrile
CID 176915110
2,2-difluoropropoxybenzene
CID 10997493
1,3-diiodo-2-(trifluoromethoxy)benzene
CID 151510849
2-ethoxy-1,3-diiodobenzene
CID 165359155
4-bromo-2-(2,2-difluoropropoxy)-1-iodobenzene
CID 175686753
1-(2-fluoro-6-nitrophenoxy)-2-methylpropan-2-ol
CID 104832228
1-[2-fluoro-6-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 114494492
3-(3-bromo-2,6-difluorophenoxy)-2,2-dimethylpropan-1-ol
CID 106941424
1,3-difluoro-2-(fluoromethoxy)benzene
CID 140973526
2-(2-bromo-6-fluorophenoxy)ethoxy-tert-butyl-dimethylsilane
CID 58242265

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoropropoxy)-1-fluoro-3-iodobenzene?
The IUPAC name of 2-(2,2-difluoropropoxy)-1-fluoro-3-iodobenzene (CID 175686675) is 2-(2,2-difluoropropoxy)-1-fluoro-3-iodobenzene.
What is the SMILES notation for 2-(2,2-difluoropropoxy)-1-fluoro-3-iodobenzene?
The canonical SMILES for 2-(2,2-difluoropropoxy)-1-fluoro-3-iodobenzene is CC(F)(F)COc1c(F)cccc1I.
What is the InChIKey of 2-(2,2-difluoropropoxy)-1-fluoro-3-iodobenzene?
The InChIKey is IKHOLPYIZQOHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3IO/c1-9(11,12)5-14-8-6(10)3-2-4-7(8)13/h2-4H,5H2,1H3.
What are the key properties of 2-(2,2-difluoropropoxy)-1-fluoro-3-iodobenzene?
2-(2,2-difluoropropoxy)-1-fluoro-3-iodobenzene has a molecular weight of 316.06 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropropoxy)-1-fluoro-3-iodobenzene is sourced from PubChem (CID 175686675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).