5-(fluoromethyl)-2-iodooxane

C6H10FIO — CID 89192055

IUPAC5-(fluoromethyl)-2-iodooxane
SMILESFCC1CCC(I)OC1
InChIInChI=1S/C6H10FIO/c7-3-5-1-2-6(8)9-4-5/h5-6H,1-4H2
InChIKeySYWJGPNMJGAWPF-UHFFFAOYSA-N
MW244.05 g/mol
LogP2.14
Rot. Bonds1

About 5-(fluoromethyl)-2-iodooxane

5-(fluoromethyl)-2-iodooxane (PubChem CID 89192055) has the molecular formula C6H10FIO and a molecular weight of 244.05 g/mol. Its IUPAC name is 5-(fluoromethyl)-2-iodooxane.

Molecular Properties

Compound Name5-(fluoromethyl)-2-iodooxane
PubChem CID89192055
Molecular FormulaC6H10FIO
Molecular Weight244.05 g/mol
Exact Mass243.98
IUPAC Name5-(fluoromethyl)-2-iodooxane
SMILESFCC1CCC(I)OC1
InChIInChI=1S/C6H10FIO/c7-3-5-1-2-6(8)9-4-5/h5-6H,1-4H2
InChIKeySYWJGPNMJGAWPF-UHFFFAOYSA-N
XLogP2.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.05
LogP ≤ 52.14
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 5-(fluoromethyl)-2-iodooxane?
The IUPAC name of 5-(fluoromethyl)-2-iodooxane (CID 89192055) is 5-(fluoromethyl)-2-iodooxane.
What is the SMILES notation for 5-(fluoromethyl)-2-iodooxane?
The canonical SMILES for 5-(fluoromethyl)-2-iodooxane is FCC1CCC(I)OC1.
What is the InChIKey of 5-(fluoromethyl)-2-iodooxane?
The InChIKey is SYWJGPNMJGAWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FIO/c7-3-5-1-2-6(8)9-4-5/h5-6H,1-4H2.
What are the key properties of 5-(fluoromethyl)-2-iodooxane?
5-(fluoromethyl)-2-iodooxane has a molecular weight of 244.05 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-2-iodooxane is sourced from PubChem (CID 89192055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).