1-[difluoro(iodo)methoxy]-2-methylbenzene

C8H7F2IO — CID 15507518

IUPAC1-[difluoro(iodo)methoxy]-2-methylbenzene
SMILESCc1ccccc1OC(F)(F)I
InChIInChI=1S/C8H7F2IO/c1-6-4-2-3-5-7(6)12-8(9,10)11/h2-5H,1H3
InChIKeyANAWXRDKMHCORH-UHFFFAOYSA-N
MW284.04 g/mol
LogP3.36
Rot. Bonds2

About 1-[difluoro(iodo)methoxy]-2-methylbenzene

1-[difluoro(iodo)methoxy]-2-methylbenzene (PubChem CID 15507518) has the molecular formula C8H7F2IO and a molecular weight of 284.04 g/mol. Its IUPAC name is 1-[difluoro(iodo)methoxy]-2-methylbenzene.

Molecular Properties

Compound Name1-[difluoro(iodo)methoxy]-2-methylbenzene
PubChem CID15507518
Molecular FormulaC8H7F2IO
Molecular Weight284.04 g/mol
Exact Mass283.95
IUPAC Name1-[difluoro(iodo)methoxy]-2-methylbenzene
SMILESCc1ccccc1OC(F)(F)I
InChIInChI=1S/C8H7F2IO/c1-6-4-2-3-5-7(6)12-8(9,10)11/h2-5H,1H3
InChIKeyANAWXRDKMHCORH-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.04
LogP ≤ 53.36
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-methyl-2-(trifluoromethoxy)benzene
CID 159717363
1-bromo-2-[difluoro(iodo)methoxy]benzene
CID 15507519
2-(2-methylphenoxy)propan-2-ol
CID 21192257
2,3-dimethyl-3-(2-methylphenoxy)butan-2-ol
CID 175409233
1-methyl-2-(1,2,2,2-tetrafluoroethoxy)benzene
CID 57121963
ethane;1-methyl-2-(2-methylphenoxy)benzene
CID 90755051
1-methyl-2-[(Z)-2-methylpent-3-en-2-yl]oxybenzene
CID 173080627
1-(1-fluoro-1-iodoethyl)-2-methylbenzene
CID 170359847
ethane;(2-methylphenyl) trifluoromethanesulfonate
CID 91178585
1,2,3-tris(2-methylphenoxy)benzene
CID 139940567
methanol;1-methoxy-2-methylbenzene;hydrate;hydrochloride
CID 155598920
(2-methylphenoxy)-(2,2,2-trifluoroethyl)phosphinic acid
CID 154071432

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(iodo)methoxy]-2-methylbenzene?
The IUPAC name of 1-[difluoro(iodo)methoxy]-2-methylbenzene (CID 15507518) is 1-[difluoro(iodo)methoxy]-2-methylbenzene.
What is the SMILES notation for 1-[difluoro(iodo)methoxy]-2-methylbenzene?
The canonical SMILES for 1-[difluoro(iodo)methoxy]-2-methylbenzene is Cc1ccccc1OC(F)(F)I.
What is the InChIKey of 1-[difluoro(iodo)methoxy]-2-methylbenzene?
The InChIKey is ANAWXRDKMHCORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2IO/c1-6-4-2-3-5-7(6)12-8(9,10)11/h2-5H,1H3.
What are the key properties of 1-[difluoro(iodo)methoxy]-2-methylbenzene?
1-[difluoro(iodo)methoxy]-2-methylbenzene has a molecular weight of 284.04 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(iodo)methoxy]-2-methylbenzene is sourced from PubChem (CID 15507518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).