1-fluoro-4-[4-(2-iodoethyl)phenyl]benzene

C14H12FI — CID 66577934

IUPAC1-fluoro-4-[4-(2-iodoethyl)phenyl]benzene
SMILESFc1ccc(-c2ccc(CCI)cc2)cc1
InChIInChI=1S/C14H12FI/c15-14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-10-16/h1-8H,9-10H2
InChIKeyKUTDDCHKDRYLLF-UHFFFAOYSA-N
MW326.15 g/mol
LogP4.47
Rot. Bonds3

About 1-fluoro-4-[4-(2-iodoethyl)phenyl]benzene

1-fluoro-4-[4-(2-iodoethyl)phenyl]benzene (PubChem CID 66577934) has the molecular formula C14H12FI and a molecular weight of 326.15 g/mol. Its IUPAC name is 1-fluoro-4-[4-(2-iodoethyl)phenyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[4-(2-iodoethyl)phenyl]benzene
PubChem CID66577934
Molecular FormulaC14H12FI
Molecular Weight326.15 g/mol
Exact Mass326.00
IUPAC Name1-fluoro-4-[4-(2-iodoethyl)phenyl]benzene
SMILESFc1ccc(-c2ccc(CCI)cc2)cc1
InChIInChI=1S/C14H12FI/c15-14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-10-16/h1-8H,9-10H2
InChIKeyKUTDDCHKDRYLLF-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 54.47
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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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[4-(2-iodoethyl)phenyl]benzene?
The IUPAC name of 1-fluoro-4-[4-(2-iodoethyl)phenyl]benzene (CID 66577934) is 1-fluoro-4-[4-(2-iodoethyl)phenyl]benzene.
What is the SMILES notation for 1-fluoro-4-[4-(2-iodoethyl)phenyl]benzene?
The canonical SMILES for 1-fluoro-4-[4-(2-iodoethyl)phenyl]benzene is Fc1ccc(-c2ccc(CCI)cc2)cc1.
What is the InChIKey of 1-fluoro-4-[4-(2-iodoethyl)phenyl]benzene?
The InChIKey is KUTDDCHKDRYLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FI/c15-14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-10-16/h1-8H,9-10H2.
What are the key properties of 1-fluoro-4-[4-(2-iodoethyl)phenyl]benzene?
1-fluoro-4-[4-(2-iodoethyl)phenyl]benzene has a molecular weight of 326.15 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[4-(2-iodoethyl)phenyl]benzene is sourced from PubChem (CID 66577934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).