1-[1-(fluoromethoxy)heptan-4-yl]-4-iodocyclohexane

C14H26FIO — CID 126683577

IUPAC1-[1-(fluoromethoxy)heptan-4-yl]-4-iodocyclohexane
SMILESCCCC(CCCOCF)C1CCC(I)CC1
InChIInChI=1S/C14H26FIO/c1-2-4-12(5-3-10-17-11-15)13-6-8-14(16)9-7-13/h12-14H,2-11H2,1H3
InChIKeyUJLQCRCBICFSFC-UHFFFAOYSA-N
MW356.26 g/mol
LogP5.12
Rot. Bonds8

About 1-[1-(fluoromethoxy)heptan-4-yl]-4-iodocyclohexane

1-[1-(fluoromethoxy)heptan-4-yl]-4-iodocyclohexane (PubChem CID 126683577) has the molecular formula C14H26FIO and a molecular weight of 356.26 g/mol. Its IUPAC name is 1-[1-(fluoromethoxy)heptan-4-yl]-4-iodocyclohexane.

Molecular Properties

Compound Name1-[1-(fluoromethoxy)heptan-4-yl]-4-iodocyclohexane
PubChem CID126683577
Molecular FormulaC14H26FIO
Molecular Weight356.26 g/mol
Exact Mass356.10
IUPAC Name1-[1-(fluoromethoxy)heptan-4-yl]-4-iodocyclohexane
SMILESCCCC(CCCOCF)C1CCC(I)CC1
InChIInChI=1S/C14H26FIO/c1-2-4-12(5-3-10-17-11-15)13-6-8-14(16)9-7-13/h12-14H,2-11H2,1H3
InChIKeyUJLQCRCBICFSFC-UHFFFAOYSA-N
XLogP5.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.26
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[1-(fluoromethoxy)heptan-4-yl]-4-iodocyclohexane?
The IUPAC name of 1-[1-(fluoromethoxy)heptan-4-yl]-4-iodocyclohexane (CID 126683577) is 1-[1-(fluoromethoxy)heptan-4-yl]-4-iodocyclohexane.
What is the SMILES notation for 1-[1-(fluoromethoxy)heptan-4-yl]-4-iodocyclohexane?
The canonical SMILES for 1-[1-(fluoromethoxy)heptan-4-yl]-4-iodocyclohexane is CCCC(CCCOCF)C1CCC(I)CC1.
What is the InChIKey of 1-[1-(fluoromethoxy)heptan-4-yl]-4-iodocyclohexane?
The InChIKey is UJLQCRCBICFSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FIO/c1-2-4-12(5-3-10-17-11-15)13-6-8-14(16)9-7-13/h12-14H,2-11H2,1H3.
What are the key properties of 1-[1-(fluoromethoxy)heptan-4-yl]-4-iodocyclohexane?
1-[1-(fluoromethoxy)heptan-4-yl]-4-iodocyclohexane has a molecular weight of 356.26 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(fluoromethoxy)heptan-4-yl]-4-iodocyclohexane is sourced from PubChem (CID 126683577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).