2-fluoro-4-(2-iodoethyl)-1-methylbenzene

C9H10FI — CID 90129406

IUPAC2-fluoro-4-(2-iodoethyl)-1-methylbenzene
SMILESCc1ccc(CCI)cc1F
InChIInChI=1S/C9H10FI/c1-7-2-3-8(4-5-11)6-9(7)10/h2-3,6H,4-5H2,1H3
InChIKeyBPZXWHLVMJUYAT-UHFFFAOYSA-N
MW264.08 g/mol
LogP3.11
Rot. Bonds2

About 2-fluoro-4-(2-iodoethyl)-1-methylbenzene

2-fluoro-4-(2-iodoethyl)-1-methylbenzene (PubChem CID 90129406) has the molecular formula C9H10FI and a molecular weight of 264.08 g/mol. Its IUPAC name is 2-fluoro-4-(2-iodoethyl)-1-methylbenzene.

Molecular Properties

Compound Name2-fluoro-4-(2-iodoethyl)-1-methylbenzene
PubChem CID90129406
Molecular FormulaC9H10FI
Molecular Weight264.08 g/mol
Exact Mass263.98
IUPAC Name2-fluoro-4-(2-iodoethyl)-1-methylbenzene
SMILESCc1ccc(CCI)cc1F
InChIInChI=1S/C9H10FI/c1-7-2-3-8(4-5-11)6-9(7)10/h2-3,6H,4-5H2,1H3
InChIKeyBPZXWHLVMJUYAT-UHFFFAOYSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.08
LogP ≤ 53.11
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-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene
CID 159128494
(3-fluoro-4-methylphenyl)methyl-trimethylazanium
CID 158068561
N-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 64866859
1-chloro-4-(3-fluoro-4-methylphenyl)butan-2-one
CID 134085975
2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 59933450
2-fluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20599389
5-(3-fluoro-4-methylphenyl)pentanoic acid
CID 169495010
2-fluoro-1-methyl-4-(3-methyl-3-nitrosobutyl)benzene
CID 146499157
2-fluoro-1-methyl-4-prop-2-enylbenzene
CID 2759034
1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-amine
CID 23109614
1,2-dichloro-4-[(3S)-5-(3-fluoro-4-methylphenyl)-3-methylpentyl]benzene
CID 147947080
1,2-difluoro-4-[4-[5-[4-(3-fluoro-4-methylphenyl)phenyl]pentyl]phenyl]benzene
CID 167697950

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-iodoethyl)-1-methylbenzene?
The IUPAC name of 2-fluoro-4-(2-iodoethyl)-1-methylbenzene (CID 90129406) is 2-fluoro-4-(2-iodoethyl)-1-methylbenzene.
What is the SMILES notation for 2-fluoro-4-(2-iodoethyl)-1-methylbenzene?
The canonical SMILES for 2-fluoro-4-(2-iodoethyl)-1-methylbenzene is Cc1ccc(CCI)cc1F.
What is the InChIKey of 2-fluoro-4-(2-iodoethyl)-1-methylbenzene?
The InChIKey is BPZXWHLVMJUYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FI/c1-7-2-3-8(4-5-11)6-9(7)10/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-fluoro-4-(2-iodoethyl)-1-methylbenzene?
2-fluoro-4-(2-iodoethyl)-1-methylbenzene has a molecular weight of 264.08 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-iodoethyl)-1-methylbenzene is sourced from PubChem (CID 90129406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).