2-(7-fluoro-8-iodooctyl)oxirane

C10H18FIO — CID 10924554

IUPAC2-(7-fluoro-8-iodooctyl)oxirane
SMILESFC(CI)CCCCCCC1CO1
InChIInChI=1S/C10H18FIO/c11-9(7-12)5-3-1-2-4-6-10-8-13-10/h9-10H,1-8H2
InChIKeyQJNUENMDZITSTC-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.50
Rot. Bonds8

About 2-(7-fluoro-8-iodooctyl)oxirane

2-(7-fluoro-8-iodooctyl)oxirane (PubChem CID 10924554) has the molecular formula C10H18FIO and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-(7-fluoro-8-iodooctyl)oxirane.

Molecular Properties

Compound Name2-(7-fluoro-8-iodooctyl)oxirane
PubChem CID10924554
Molecular FormulaC10H18FIO
Molecular Weight300.16 g/mol
Exact Mass300.04
IUPAC Name2-(7-fluoro-8-iodooctyl)oxirane
SMILESFC(CI)CCCCCCC1CO1
InChIInChI=1S/C10H18FIO/c11-9(7-12)5-3-1-2-4-6-10-8-13-10/h9-10H,1-8H2
InChIKeyQJNUENMDZITSTC-UHFFFAOYSA-N
XLogP3.50
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 53.50
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
CID 92538674
2-(6,6-dimethoxyhexyl)oxirane
CID 22101928
2-methyl-8-(oxiran-2-yl)octanal
CID 101153303
2-tetratetracontyloxirane
CID 102093754
2-(25-chloropentacosyl)oxirane
CID 89371586
2-tetradecyloxirane
CID 23741
(2R)-2-octadecyloxirane
CID 98043533
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-hexadecyloxirane;tetradecane
CID 174899291
N,N-dimethyl-7-(oxiran-2-yl)heptan-1-amine
CID 160855630

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-8-iodooctyl)oxirane?
The IUPAC name of 2-(7-fluoro-8-iodooctyl)oxirane (CID 10924554) is 2-(7-fluoro-8-iodooctyl)oxirane.
What is the SMILES notation for 2-(7-fluoro-8-iodooctyl)oxirane?
The canonical SMILES for 2-(7-fluoro-8-iodooctyl)oxirane is FC(CI)CCCCCCC1CO1.
What is the InChIKey of 2-(7-fluoro-8-iodooctyl)oxirane?
The InChIKey is QJNUENMDZITSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FIO/c11-9(7-12)5-3-1-2-4-6-10-8-13-10/h9-10H,1-8H2.
What are the key properties of 2-(7-fluoro-8-iodooctyl)oxirane?
2-(7-fluoro-8-iodooctyl)oxirane has a molecular weight of 300.16 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-8-iodooctyl)oxirane is sourced from PubChem (CID 10924554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).