1-methoxyethyl hypofluorite;2-methylbutan-2-ylbenzene

C14H23FO2 — CID 91239251

IUPAC1-methoxyethyl hypofluorite;2-methylbutan-2-ylbenzene
SMILESCCC(C)(C)c1ccccc1.COC(C)OF
InChIInChI=1S/C11H16.C3H7FO2/c1-4-11(2,3)10-8-6-5-7-9-10;1-3(5-2)6-4/h5-9H,4H2,1-3H3;3H,1-2H3
InChIKeyAYHYSAGPXSKVIX-UHFFFAOYSA-N
MW242.33 g/mol
LogP4.25
Rot. Bonds4

About 1-methoxyethyl hypofluorite;2-methylbutan-2-ylbenzene

1-methoxyethyl hypofluorite;2-methylbutan-2-ylbenzene (PubChem CID 91239251) has the molecular formula C14H23FO2 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-methoxyethyl hypofluorite;2-methylbutan-2-ylbenzene.

Molecular Properties

Compound Name1-methoxyethyl hypofluorite;2-methylbutan-2-ylbenzene
PubChem CID91239251
Molecular FormulaC14H23FO2
Molecular Weight242.33 g/mol
Exact Mass242.17
IUPAC Name1-methoxyethyl hypofluorite;2-methylbutan-2-ylbenzene
SMILESCCC(C)(C)c1ccccc1.COC(C)OF
InChIInChI=1S/C11H16.C3H7FO2/c1-4-11(2,3)10-8-6-5-7-9-10;1-3(5-2)6-4/h5-9H,4H2,1-3H3;3H,1-2H3
InChIKeyAYHYSAGPXSKVIX-UHFFFAOYSA-N
XLogP4.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-1-(1-methoxyethoxymethoxy)ethane;bis(2-methylbutan-2-ylbenzene)
CID 91407102
ethane;methane;1-methoxy-1-(2-methoxyethoxy)ethane;2-methylbutan-2-ylbenzene
CID 159741657
formic acid;2-methylbutan-2-ylbenzene
CID 158175832
1-(2-methylbutan-2-yl)-4-phenoxybenzene
CID 67473143
ethyl formate;2-methylbutan-2-ylbenzene
CID 174608198
2,3-dimethylbutanedioic acid;2,2-dimethylbutanoic acid;ethane;2-methylbutan-2-ylbenzene
CID 161090900
1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 143918142
1-benzyl-4-(2-methylbutan-2-yl)benzene
CID 54402390
methyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium
CID 23463777
N,N,4-trimethyl-4-phenylpentan-2-amine
CID 142069190
2-hydroperoxybutan-2-ylbenzene
CID 15510207
(2R)-4-methyl-4-phenylpentan-2-ol
CID 69029171

Frequently Asked Questions

What is the IUPAC name of 1-methoxyethyl hypofluorite;2-methylbutan-2-ylbenzene?
The IUPAC name of 1-methoxyethyl hypofluorite;2-methylbutan-2-ylbenzene (CID 91239251) is 1-methoxyethyl hypofluorite;2-methylbutan-2-ylbenzene.
What is the SMILES notation for 1-methoxyethyl hypofluorite;2-methylbutan-2-ylbenzene?
The canonical SMILES for 1-methoxyethyl hypofluorite;2-methylbutan-2-ylbenzene is CCC(C)(C)c1ccccc1.COC(C)OF.
What is the InChIKey of 1-methoxyethyl hypofluorite;2-methylbutan-2-ylbenzene?
The InChIKey is AYHYSAGPXSKVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C3H7FO2/c1-4-11(2,3)10-8-6-5-7-9-10;1-3(5-2)6-4/h5-9H,4H2,1-3H3;3H,1-2H3.
What are the key properties of 1-methoxyethyl hypofluorite;2-methylbutan-2-ylbenzene?
1-methoxyethyl hypofluorite;2-methylbutan-2-ylbenzene has a molecular weight of 242.33 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethyl hypofluorite;2-methylbutan-2-ylbenzene is sourced from PubChem (CID 91239251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).