(4-methyl-1-bicyclo[2.2.2]octanyl) hypofluorite

C9H15FO — CID 86060113

IUPAC(4-methyl-1-bicyclo[2.2.2]octanyl) hypofluorite
SMILESCC12CCC(OF)(CC1)CC2
InChIInChI=1S/C9H15FO/c1-8-2-5-9(11-10,6-3-8)7-4-8/h2-7H2,1H3
InChIKeyOOBRHDXOGILGPC-UHFFFAOYSA-N
MW158.22 g/mol
LogP3.00
Rot. Bonds1

About (4-methyl-1-bicyclo[2.2.2]octanyl) hypofluorite

(4-methyl-1-bicyclo[2.2.2]octanyl) hypofluorite (PubChem CID 86060113) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is (4-methyl-1-bicyclo[2.2.2]octanyl) hypofluorite.

Molecular Properties

Compound Name(4-methyl-1-bicyclo[2.2.2]octanyl) hypofluorite
PubChem CID86060113
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name(4-methyl-1-bicyclo[2.2.2]octanyl) hypofluorite
SMILESCC12CCC(OF)(CC1)CC2
InChIInChI=1S/C9H15FO/c1-8-2-5-9(11-10,6-3-8)7-4-8/h2-7H2,1H3
InChIKeyOOBRHDXOGILGPC-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-amino-1-bicyclo[2.2.2]octanyl) hypofluorite
CID 86060114
(4-sulfanyl-1-bicyclo[2.2.2]octanyl) hypofluorite
CID 86060116
1-(difluoromethyl)-4-methylbicyclo[2.2.2]octane
CID 122462461
1-fluoro-1-methylcyclopropane
CID 18684623
1,4-dimethylbicyclo[2.2.2]octane;2,5-dimethylhexane;ethane;methane
CID 156836779
5,5,8,8-tetramethyl-1,2,3,4-tetrahydroquinoxaline
CID 70186702
(4-methyl-1-bicyclo[2.2.2]octanyl)methyl trifluoromethanesulfonate
CID 167714957
1-(1-fluorocyclopropyl)-2-methoxybenzene
CID 22940038
1-methyl-5-propan-2-ylbicyclo[3.3.2]decane
CID 171426814
N-(4-methyl-1-bicyclo[2.2.2]octanyl)formamide
CID 13082870
4-methyl-4-(2,3,4-trifluorophenoxy)piperidine
CID 117051239
1-[1-fluoro-6-(4-methoxyphenyl)cyclohexa-2,4-dien-1-yl]-4-methylbicyclo[2.2.2]octane
CID 19849387

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1-bicyclo[2.2.2]octanyl) hypofluorite?
The IUPAC name of (4-methyl-1-bicyclo[2.2.2]octanyl) hypofluorite (CID 86060113) is (4-methyl-1-bicyclo[2.2.2]octanyl) hypofluorite.
What is the SMILES notation for (4-methyl-1-bicyclo[2.2.2]octanyl) hypofluorite?
The canonical SMILES for (4-methyl-1-bicyclo[2.2.2]octanyl) hypofluorite is CC12CCC(OF)(CC1)CC2.
What is the InChIKey of (4-methyl-1-bicyclo[2.2.2]octanyl) hypofluorite?
The InChIKey is OOBRHDXOGILGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO/c1-8-2-5-9(11-10,6-3-8)7-4-8/h2-7H2,1H3.
What are the key properties of (4-methyl-1-bicyclo[2.2.2]octanyl) hypofluorite?
(4-methyl-1-bicyclo[2.2.2]octanyl) hypofluorite has a molecular weight of 158.22 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1-bicyclo[2.2.2]octanyl) hypofluorite is sourced from PubChem (CID 86060113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).