1-fluoro-2-iodo-4-propan-2-yloxybenzene

C9H10FIO — CID 131606959

IUPAC1-fluoro-2-iodo-4-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(F)c(I)c1
InChIInChI=1S/C9H10FIO/c1-6(2)12-7-3-4-8(10)9(11)5-7/h3-6H,1-2H3
InChIKeyFEXRBVUUYLGXJT-UHFFFAOYSA-N
MW280.08 g/mol
LogP3.22
Rot. Bonds2

About 1-fluoro-2-iodo-4-propan-2-yloxybenzene

1-fluoro-2-iodo-4-propan-2-yloxybenzene (PubChem CID 131606959) has the molecular formula C9H10FIO and a molecular weight of 280.08 g/mol. Its IUPAC name is 1-fluoro-2-iodo-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-fluoro-2-iodo-4-propan-2-yloxybenzene
PubChem CID131606959
Molecular FormulaC9H10FIO
Molecular Weight280.08 g/mol
Exact Mass279.98
IUPAC Name1-fluoro-2-iodo-4-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(F)c(I)c1
InChIInChI=1S/C9H10FIO/c1-6(2)12-7-3-4-8(10)9(11)5-7/h3-6H,1-2H3
InChIKeyFEXRBVUUYLGXJT-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.08
LogP ≤ 53.22
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

(1R)-1-(2-iodo-4-propan-2-yloxyphenyl)ethanamine
CID 130673474
1-iodo-2-methoxy-4-propan-2-yloxybenzene
CID 131308611
trifluoro-(2-fluoro-4-propan-2-yloxyphenyl)boranuide
CID 65202687
1-ethenyl-2-fluoro-4-propan-2-yloxybenzene
CID 175665867
2-(2-fluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 79661221
2-fluoro-5-(4-propan-2-yloxyphenyl)aniline
CID 82085777
2-fluoro-4-propan-2-yloxybenzaldehyde;methane
CID 166468133
4-[bromo-(4-propan-2-yloxyphenyl)methyl]-1,2-difluorobenzene
CID 63441119
(2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 63661997
4-[bromo-(4-propan-2-yloxyphenyl)methyl]-1-fluoro-2-methylbenzene
CID 63441611
4-chloro-1-iodo-2-propan-2-yloxybenzene
CID 142659279
(5-bromo-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43339553

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-iodo-4-propan-2-yloxybenzene?
The IUPAC name of 1-fluoro-2-iodo-4-propan-2-yloxybenzene (CID 131606959) is 1-fluoro-2-iodo-4-propan-2-yloxybenzene.
What is the SMILES notation for 1-fluoro-2-iodo-4-propan-2-yloxybenzene?
The canonical SMILES for 1-fluoro-2-iodo-4-propan-2-yloxybenzene is CC(C)Oc1ccc(F)c(I)c1.
What is the InChIKey of 1-fluoro-2-iodo-4-propan-2-yloxybenzene?
The InChIKey is FEXRBVUUYLGXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FIO/c1-6(2)12-7-3-4-8(10)9(11)5-7/h3-6H,1-2H3.
What are the key properties of 1-fluoro-2-iodo-4-propan-2-yloxybenzene?
1-fluoro-2-iodo-4-propan-2-yloxybenzene has a molecular weight of 280.08 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-iodo-4-propan-2-yloxybenzene is sourced from PubChem (CID 131606959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).