2-(5-fluoro-2-octoxyphenyl)-2-methyloxirane

C17H25FO2 — CID 86036899

IUPAC2-(5-fluoro-2-octoxyphenyl)-2-methyloxirane
SMILESCCCCCCCCOc1ccc(F)cc1C1(C)CO1
InChIInChI=1S/C17H25FO2/c1-3-4-5-6-7-8-11-19-16-10-9-14(18)12-15(16)17(2)13-20-17/h9-10,12H,3-8,11,13H2,1-2H3
InChIKeyMYZNBPQFFSNAIY-UHFFFAOYSA-N
MW280.38 g/mol
LogP4.81
Rot. Bonds9

About 2-(5-fluoro-2-octoxyphenyl)-2-methyloxirane

2-(5-fluoro-2-octoxyphenyl)-2-methyloxirane (PubChem CID 86036899) has the molecular formula C17H25FO2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-(5-fluoro-2-octoxyphenyl)-2-methyloxirane.

Molecular Properties

Compound Name2-(5-fluoro-2-octoxyphenyl)-2-methyloxirane
PubChem CID86036899
Molecular FormulaC17H25FO2
Molecular Weight280.38 g/mol
Exact Mass280.18
IUPAC Name2-(5-fluoro-2-octoxyphenyl)-2-methyloxirane
SMILESCCCCCCCCOc1ccc(F)cc1C1(C)CO1
InChIInChI=1S/C17H25FO2/c1-3-4-5-6-7-8-11-19-16-10-9-14(18)12-15(16)17(2)13-20-17/h9-10,12H,3-8,11,13H2,1-2H3
InChIKeyMYZNBPQFFSNAIY-UHFFFAOYSA-N
XLogP4.81
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-octoxyaniline
CID 43128998
1,4-difluoro-2-hexoxybenzene
CID 23437312
(5-fluoro-2-hexoxyphenyl)methanol
CID 91657337
trifluoro-(5-fluoro-2-hexoxyphenyl)boranuide
CID 63703027
1-chloro-4-fluoro-2-octoxybenzene
CID 114264358
2,3-difluoro-1,4-dihexoxybenzene
CID 125465685
2,4-difluoro-1-octadec-9-enoxybenzene
CID 173351130
5-fluoro-2-nonoxybenzoic acid
CID 115297915
(5-fluoro-2-hexoxyphenyl)methylidenehydrazine
CID 168529261
(1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 63370186
1,4,5,8-tetrahexoxyanthracene
CID 101142141
1-(5-fluoro-2-heptoxyphenyl)butan-2-amine
CID 107701259

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-octoxyphenyl)-2-methyloxirane?
The IUPAC name of 2-(5-fluoro-2-octoxyphenyl)-2-methyloxirane (CID 86036899) is 2-(5-fluoro-2-octoxyphenyl)-2-methyloxirane.
What is the SMILES notation for 2-(5-fluoro-2-octoxyphenyl)-2-methyloxirane?
The canonical SMILES for 2-(5-fluoro-2-octoxyphenyl)-2-methyloxirane is CCCCCCCCOc1ccc(F)cc1C1(C)CO1.
What is the InChIKey of 2-(5-fluoro-2-octoxyphenyl)-2-methyloxirane?
The InChIKey is MYZNBPQFFSNAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FO2/c1-3-4-5-6-7-8-11-19-16-10-9-14(18)12-15(16)17(2)13-20-17/h9-10,12H,3-8,11,13H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-octoxyphenyl)-2-methyloxirane?
2-(5-fluoro-2-octoxyphenyl)-2-methyloxirane has a molecular weight of 280.38 g/mol, XLogP of 4.81, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-octoxyphenyl)-2-methyloxirane is sourced from PubChem (CID 86036899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).