1,2-difluoro-3-(iodomethyl)benzene

C7H5F2I — CID 64789130

IUPAC1,2-difluoro-3-(iodomethyl)benzene
SMILESFc1cccc(CI)c1F
InChIInChI=1S/C7H5F2I/c8-6-3-1-2-5(4-10)7(6)9/h1-3H,4H2
InChIKeyQAMREMZSKUOLQY-UHFFFAOYSA-N
MW254.02 g/mol
LogP2.90
Rot. Bonds1

About 1,2-difluoro-3-(iodomethyl)benzene

1,2-difluoro-3-(iodomethyl)benzene (PubChem CID 64789130) has the molecular formula C7H5F2I and a molecular weight of 254.02 g/mol. Its IUPAC name is 1,2-difluoro-3-(iodomethyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-3-(iodomethyl)benzene
PubChem CID64789130
Molecular FormulaC7H5F2I
Molecular Weight254.02 g/mol
Exact Mass253.94
IUPAC Name1,2-difluoro-3-(iodomethyl)benzene
SMILESFc1cccc(CI)c1F
InChIInChI=1S/C7H5F2I/c8-6-3-1-2-5(4-10)7(6)9/h1-3H,4H2
InChIKeyQAMREMZSKUOLQY-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.02
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2,3-difluorophenyl)methanamine
CID 2736941
1-ethyl-2,3-difluorobenzene;methanamine
CID 143205868
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 79522311
1,2,3-trifluorobenzene
CID 15147
1,3-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900
2-(2,3-difluorophenyl)acetaldehyde
CID 22667341
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403
1-(3-bromopropyl)-2,3-difluorobenzene
CID 53433974
3-(2,3-difluorophenyl)propan-1-ol
CID 53434260
azane;2-(2,3-difluorophenyl)acetaldehyde
CID 87319362
1-[2-(chloromethyl)butyl]-2,3-difluorobenzene
CID 66036130
1,2-difluoro-3-(methylsulfonylmethyl)benzene
CID 2761430

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-(iodomethyl)benzene?
The IUPAC name of 1,2-difluoro-3-(iodomethyl)benzene (CID 64789130) is 1,2-difluoro-3-(iodomethyl)benzene.
What is the SMILES notation for 1,2-difluoro-3-(iodomethyl)benzene?
The canonical SMILES for 1,2-difluoro-3-(iodomethyl)benzene is Fc1cccc(CI)c1F.
What is the InChIKey of 1,2-difluoro-3-(iodomethyl)benzene?
The InChIKey is QAMREMZSKUOLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2I/c8-6-3-1-2-5(4-10)7(6)9/h1-3H,4H2.
What are the key properties of 1,2-difluoro-3-(iodomethyl)benzene?
1,2-difluoro-3-(iodomethyl)benzene has a molecular weight of 254.02 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-(iodomethyl)benzene is sourced from PubChem (CID 64789130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).