1-[1-(1-cyclopropylethoxy)-2-iodoethyl]-4-fluorobenzene

C13H16FIO — CID 165489841

IUPAC1-[1-(1-cyclopropylethoxy)-2-iodoethyl]-4-fluorobenzene
SMILESCC(OC(CI)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C13H16FIO/c1-9(10-2-3-10)16-13(8-15)11-4-6-12(14)7-5-11/h4-7,9-10,13H,2-3,8H2,1H3
InChIKeyRVGSWSLZYMKBGY-UHFFFAOYSA-N
MW334.17 g/mol
LogP4.12
Rot. Bonds5

About 1-[1-(1-cyclopropylethoxy)-2-iodoethyl]-4-fluorobenzene

1-[1-(1-cyclopropylethoxy)-2-iodoethyl]-4-fluorobenzene (PubChem CID 165489841) has the molecular formula C13H16FIO and a molecular weight of 334.17 g/mol. Its IUPAC name is 1-[1-(1-cyclopropylethoxy)-2-iodoethyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[1-(1-cyclopropylethoxy)-2-iodoethyl]-4-fluorobenzene
PubChem CID165489841
Molecular FormulaC13H16FIO
Molecular Weight334.17 g/mol
Exact Mass334.02
IUPAC Name1-[1-(1-cyclopropylethoxy)-2-iodoethyl]-4-fluorobenzene
SMILESCC(OC(CI)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C13H16FIO/c1-9(10-2-3-10)16-13(8-15)11-4-6-12(14)7-5-11/h4-7,9-10,13H,2-3,8H2,1H3
InChIKeyRVGSWSLZYMKBGY-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 54.12
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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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclopropylethoxy)-2-iodoethyl]-4-fluorobenzene?
The IUPAC name of 1-[1-(1-cyclopropylethoxy)-2-iodoethyl]-4-fluorobenzene (CID 165489841) is 1-[1-(1-cyclopropylethoxy)-2-iodoethyl]-4-fluorobenzene.
What is the SMILES notation for 1-[1-(1-cyclopropylethoxy)-2-iodoethyl]-4-fluorobenzene?
The canonical SMILES for 1-[1-(1-cyclopropylethoxy)-2-iodoethyl]-4-fluorobenzene is CC(OC(CI)c1ccc(F)cc1)C1CC1.
What is the InChIKey of 1-[1-(1-cyclopropylethoxy)-2-iodoethyl]-4-fluorobenzene?
The InChIKey is RVGSWSLZYMKBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FIO/c1-9(10-2-3-10)16-13(8-15)11-4-6-12(14)7-5-11/h4-7,9-10,13H,2-3,8H2,1H3.
What are the key properties of 1-[1-(1-cyclopropylethoxy)-2-iodoethyl]-4-fluorobenzene?
1-[1-(1-cyclopropylethoxy)-2-iodoethyl]-4-fluorobenzene has a molecular weight of 334.17 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclopropylethoxy)-2-iodoethyl]-4-fluorobenzene is sourced from PubChem (CID 165489841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).