2-fluoro-3-(iodomethyl)-1,4-dimethylbenzene

C9H10FI — CID 66612978

IUPAC2-fluoro-3-(iodomethyl)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(CI)c1F
InChIInChI=1S/C9H10FI/c1-6-3-4-7(2)9(10)8(6)5-11/h3-4H,5H2,1-2H3
InChIKeyLGJZGENRVKXFTP-UHFFFAOYSA-N
MW264.08 g/mol
LogP3.38
Rot. Bonds1

About 2-fluoro-3-(iodomethyl)-1,4-dimethylbenzene

2-fluoro-3-(iodomethyl)-1,4-dimethylbenzene (PubChem CID 66612978) has the molecular formula C9H10FI and a molecular weight of 264.08 g/mol. Its IUPAC name is 2-fluoro-3-(iodomethyl)-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-fluoro-3-(iodomethyl)-1,4-dimethylbenzene
PubChem CID66612978
Molecular FormulaC9H10FI
Molecular Weight264.08 g/mol
Exact Mass263.98
IUPAC Name2-fluoro-3-(iodomethyl)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(CI)c1F
InChIInChI=1S/C9H10FI/c1-6-3-4-7(2)9(10)8(6)5-11/h3-4H,5H2,1-2H3
InChIKeyLGJZGENRVKXFTP-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.08
LogP ≤ 53.38
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

1-(2-fluoro-3,6-dimethylphenyl)-2-methylpropan-2-amine
CID 84773717
1-fluoro-2-(iodomethyl)-3,5-dimethylbenzene
CID 170736464
methyl 2-(2-fluoro-3,6-dimethylphenyl)acetate
CID 130870256
(6-chloro-2-fluoro-3-methylphenyl)methanethiol
CID 86098483
1-chloro-2-fluoro-3-(fluoromethyl)-4-methylbenzene
CID 118811534
3-fluoro-4-methyl-2-(sulfanylmethyl)phenol
CID 174607030
2-(3-bromopropyl)-1,3-difluoro-4-methylbenzene
CID 82822097
2-(6-chloro-2-fluoro-3-methylphenyl)ethanamine
CID 53403713
3-fluoro-1,2-diiodo-4-methylbenzene
CID 130967572
3-fluoro-1-iodo-2,4-dimethylbenzene
CID 129014010
2-fluoro-4-methyl-3-(2-methylpropyl)phenol
CID 130177584
3-fluoro-4-methyl-2-[2-(methylamino)ethyl]phenol
CID 84659080

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(iodomethyl)-1,4-dimethylbenzene?
The IUPAC name of 2-fluoro-3-(iodomethyl)-1,4-dimethylbenzene (CID 66612978) is 2-fluoro-3-(iodomethyl)-1,4-dimethylbenzene.
What is the SMILES notation for 2-fluoro-3-(iodomethyl)-1,4-dimethylbenzene?
The canonical SMILES for 2-fluoro-3-(iodomethyl)-1,4-dimethylbenzene is Cc1ccc(C)c(CI)c1F.
What is the InChIKey of 2-fluoro-3-(iodomethyl)-1,4-dimethylbenzene?
The InChIKey is LGJZGENRVKXFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FI/c1-6-3-4-7(2)9(10)8(6)5-11/h3-4H,5H2,1-2H3.
What are the key properties of 2-fluoro-3-(iodomethyl)-1,4-dimethylbenzene?
2-fluoro-3-(iodomethyl)-1,4-dimethylbenzene has a molecular weight of 264.08 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(iodomethyl)-1,4-dimethylbenzene is sourced from PubChem (CID 66612978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).