2-(2,6-dimethylcyclohexa-1,3-dien-1-yl)propan-2-yl hypofluorite;ethane

C13H23FO — CID 155717721

IUPAC2-(2,6-dimethylcyclohexa-1,3-dien-1-yl)propan-2-yl hypofluorite;ethane
SMILESCC.CC1=C(C(C)(C)OF)C(C)CC=C1
InChIInChI=1S/C11H17FO.C2H6/c1-8-6-5-7-9(2)10(8)11(3,4)13-12;1-2/h5-6,9H,7H2,1-4H3;1-2H3
InChIKeyHBXFDXLHVXPALF-UHFFFAOYSA-N
MW214.32 g/mol
LogP4.60
Rot. Bonds2

About 2-(2,6-dimethylcyclohexa-1,3-dien-1-yl)propan-2-yl hypofluorite;ethane

2-(2,6-dimethylcyclohexa-1,3-dien-1-yl)propan-2-yl hypofluorite;ethane (PubChem CID 155717721) has the molecular formula C13H23FO and a molecular weight of 214.32 g/mol. Its IUPAC name is 2-(2,6-dimethylcyclohexa-1,3-dien-1-yl)propan-2-yl hypofluorite;ethane.

Molecular Properties

Compound Name2-(2,6-dimethylcyclohexa-1,3-dien-1-yl)propan-2-yl hypofluorite;ethane
PubChem CID155717721
Molecular FormulaC13H23FO
Molecular Weight214.32 g/mol
Exact Mass214.17
IUPAC Name2-(2,6-dimethylcyclohexa-1,3-dien-1-yl)propan-2-yl hypofluorite;ethane
SMILESCC.CC1=C(C(C)(C)OF)C(C)CC=C1
InChIInChI=1S/C11H17FO.C2H6/c1-8-6-5-7-9(2)10(8)11(3,4)13-12;1-2/h5-6,9H,7H2,1-4H3;1-2H3
InChIKeyHBXFDXLHVXPALF-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.32
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(6R)-1-tert-butyl-2-ethyl-6-methylcyclohexa-1,3-diene
CID 162785526
2,6-dimethyl-1-methylsulfanylcyclohexa-1,3-diene
CID 91241824
N-[1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)ethenyl]prop-1-en-2-amine
CID 139572030
acetylene;(5R)-5-methylcyclopent-2-en-1-one
CID 142013525
2-tert-butyl-6-methylcyclohexa-1,3-diene-1-carboxamide
CID 155115230
1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene
CID 142215714
4-ethoxy-6-[1-fluoro-1-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]pyrimidine
CID 163953667
2-fluoro-6-methylcyclohexa-1,3-dien-1-ol
CID 154518719
1,2-dimethoxy-6-methylcyclohexa-1,3-diene
CID 19612221
2-methyl-1-propan-2-ylcyclopenta-1,3-diene
CID 18914846
1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-N-methylprop-2-en-1-imine
CID 130239233
2-ethoxy-3-methylcyclohexa-1,5-dien-1-ol
CID 142888173

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylcyclohexa-1,3-dien-1-yl)propan-2-yl hypofluorite;ethane?
The IUPAC name of 2-(2,6-dimethylcyclohexa-1,3-dien-1-yl)propan-2-yl hypofluorite;ethane (CID 155717721) is 2-(2,6-dimethylcyclohexa-1,3-dien-1-yl)propan-2-yl hypofluorite;ethane.
What is the SMILES notation for 2-(2,6-dimethylcyclohexa-1,3-dien-1-yl)propan-2-yl hypofluorite;ethane?
The canonical SMILES for 2-(2,6-dimethylcyclohexa-1,3-dien-1-yl)propan-2-yl hypofluorite;ethane is CC.CC1=C(C(C)(C)OF)C(C)CC=C1.
What is the InChIKey of 2-(2,6-dimethylcyclohexa-1,3-dien-1-yl)propan-2-yl hypofluorite;ethane?
The InChIKey is HBXFDXLHVXPALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO.C2H6/c1-8-6-5-7-9(2)10(8)11(3,4)13-12;1-2/h5-6,9H,7H2,1-4H3;1-2H3.
What are the key properties of 2-(2,6-dimethylcyclohexa-1,3-dien-1-yl)propan-2-yl hypofluorite;ethane?
2-(2,6-dimethylcyclohexa-1,3-dien-1-yl)propan-2-yl hypofluorite;ethane has a molecular weight of 214.32 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylcyclohexa-1,3-dien-1-yl)propan-2-yl hypofluorite;ethane is sourced from PubChem (CID 155717721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).