1-[3-(fluoromethoxy)propoxy]-5-iodopentane

C9H18FIO2 — CID 155056281

IUPAC1-[3-(fluoromethoxy)propoxy]-5-iodopentane
SMILESFCOCCCOCCCCCI
InChIInChI=1S/C9H18FIO2/c10-9-13-8-4-7-12-6-3-1-2-5-11/h1-9H2
InChIKeyYMDBSVUUGMFDRI-UHFFFAOYSA-N
MW304.14 g/mol
LogP2.94
Rot. Bonds10

About 1-[3-(fluoromethoxy)propoxy]-5-iodopentane

1-[3-(fluoromethoxy)propoxy]-5-iodopentane (PubChem CID 155056281) has the molecular formula C9H18FIO2 and a molecular weight of 304.14 g/mol. Its IUPAC name is 1-[3-(fluoromethoxy)propoxy]-5-iodopentane.

Molecular Properties

Compound Name1-[3-(fluoromethoxy)propoxy]-5-iodopentane
PubChem CID155056281
Molecular FormulaC9H18FIO2
Molecular Weight304.14 g/mol
Exact Mass304.03
IUPAC Name1-[3-(fluoromethoxy)propoxy]-5-iodopentane
SMILESFCOCCCOCCCCCI
InChIInChI=1S/C9H18FIO2/c10-9-13-8-4-7-12-6-3-1-2-5-11/h1-9H2
InChIKeyYMDBSVUUGMFDRI-UHFFFAOYSA-N
XLogP2.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[3-(fluoromethoxy)propoxy]-5-iodopentane?
The IUPAC name of 1-[3-(fluoromethoxy)propoxy]-5-iodopentane (CID 155056281) is 1-[3-(fluoromethoxy)propoxy]-5-iodopentane.
What is the SMILES notation for 1-[3-(fluoromethoxy)propoxy]-5-iodopentane?
The canonical SMILES for 1-[3-(fluoromethoxy)propoxy]-5-iodopentane is FCOCCCOCCCCCI.
What is the InChIKey of 1-[3-(fluoromethoxy)propoxy]-5-iodopentane?
The InChIKey is YMDBSVUUGMFDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FIO2/c10-9-13-8-4-7-12-6-3-1-2-5-11/h1-9H2.
What are the key properties of 1-[3-(fluoromethoxy)propoxy]-5-iodopentane?
1-[3-(fluoromethoxy)propoxy]-5-iodopentane has a molecular weight of 304.14 g/mol, XLogP of 2.94, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(fluoromethoxy)propoxy]-5-iodopentane is sourced from PubChem (CID 155056281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).