3-[3-(trifluoromethyl)cyclohexyl]propyl hypoiodite

C10H16F3IO — CID 166885819

IUPAC3-[3-(trifluoromethyl)cyclohexyl]propyl hypoiodite
SMILESFC(F)(F)C1CCCC(CCCOI)C1
InChIInChI=1S/C10H16F3IO/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-15-14/h8-9H,1-7H2
InChIKeyWENNOJPKBJZSCQ-UHFFFAOYSA-N
MW336.14 g/mol
LogP4.50
Rot. Bonds4

About 3-[3-(trifluoromethyl)cyclohexyl]propyl hypoiodite

3-[3-(trifluoromethyl)cyclohexyl]propyl hypoiodite (PubChem CID 166885819) has the molecular formula C10H16F3IO and a molecular weight of 336.14 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)cyclohexyl]propyl hypoiodite.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)cyclohexyl]propyl hypoiodite
PubChem CID166885819
Molecular FormulaC10H16F3IO
Molecular Weight336.14 g/mol
Exact Mass336.02
IUPAC Name3-[3-(trifluoromethyl)cyclohexyl]propyl hypoiodite
SMILESFC(F)(F)C1CCCC(CCCOI)C1
InChIInChI=1S/C10H16F3IO/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-15-14/h8-9H,1-7H2
InChIKeyWENNOJPKBJZSCQ-UHFFFAOYSA-N
XLogP4.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.14
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)cyclohexyl]propyl hypoiodite?
The IUPAC name of 3-[3-(trifluoromethyl)cyclohexyl]propyl hypoiodite (CID 166885819) is 3-[3-(trifluoromethyl)cyclohexyl]propyl hypoiodite.
What is the SMILES notation for 3-[3-(trifluoromethyl)cyclohexyl]propyl hypoiodite?
The canonical SMILES for 3-[3-(trifluoromethyl)cyclohexyl]propyl hypoiodite is FC(F)(F)C1CCCC(CCCOI)C1.
What is the InChIKey of 3-[3-(trifluoromethyl)cyclohexyl]propyl hypoiodite?
The InChIKey is WENNOJPKBJZSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3IO/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-15-14/h8-9H,1-7H2.
What are the key properties of 3-[3-(trifluoromethyl)cyclohexyl]propyl hypoiodite?
3-[3-(trifluoromethyl)cyclohexyl]propyl hypoiodite has a molecular weight of 336.14 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)cyclohexyl]propyl hypoiodite is sourced from PubChem (CID 166885819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).