11-fluoro-11-methoxybicyclo[5.3.1]undeca-1(10),8-diene

C12H17FO — CID 11745568

IUPAC11-fluoro-11-methoxybicyclo[5.3.1]undeca-1(10),8-diene
SMILESCOC1(F)C2=CC=CC1CCCCC2
InChIInChI=1S/C12H17FO/c1-14-12(13)10-6-3-2-4-7-11(12)9-5-8-10/h5,8-10H,2-4,6-7H2,1H3
InChIKeyUZSQAGVEMRNYOD-UHFFFAOYSA-N
MW196.26 g/mol
LogP3.38
Rot. Bonds1

About 11-fluoro-11-methoxybicyclo[5.3.1]undeca-1(10),8-diene

11-fluoro-11-methoxybicyclo[5.3.1]undeca-1(10),8-diene (PubChem CID 11745568) has the molecular formula C12H17FO and a molecular weight of 196.26 g/mol. Its IUPAC name is 11-fluoro-11-methoxybicyclo[5.3.1]undeca-1(10),8-diene.

Molecular Properties

Compound Name11-fluoro-11-methoxybicyclo[5.3.1]undeca-1(10),8-diene
PubChem CID11745568
Molecular FormulaC12H17FO
Molecular Weight196.26 g/mol
Exact Mass196.13
IUPAC Name11-fluoro-11-methoxybicyclo[5.3.1]undeca-1(10),8-diene
SMILESCOC1(F)C2=CC=CC1CCCCC2
InChIInChI=1S/C12H17FO/c1-14-12(13)10-6-3-2-4-7-11(12)9-5-8-10/h5,8-10H,2-4,6-7H2,1H3
InChIKeyUZSQAGVEMRNYOD-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 11-fluoro-11-methoxybicyclo[5.3.1]undeca-1(10),8-diene with MolForge

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Related Compounds

11-Ethoxy-11-fluorobicyclo[5.3.1]undeca-7,9-diene
CID 11009197
2-ethyl-6-fluoro-3,4,4a,8a-tetrahydro-2H-chromene
CID 58787098
(3S,5S)-5-ethenyl-2-[(4R)-4-fluorocyclohexen-1-yl]-1-methyl-3-propan-2-yloxycyclohexene
CID 118018328
(6S)-1-[(E,4S,7S)-8-fluoro-7-methylundec-8-en-4-yl]-6-methoxy-3-methylcyclohexa-1,3-diene
CID 131969443
5-Cyclohexyl-6-fluoro-5-methoxycyclohexa-1,3-diene
CID 151817129
(2R)-2-butan-2-yl-6-fluoro-3,4,4a,8a-tetrahydro-2H-chromene
CID 164141580
11-Fluoro-11-propan-2-yloxybicyclo[5.3.1]undeca-1(10),8-diene
CID 10955216
2,6-Dimethyl-2-methoxy-9-isopropylphenylnonane
CID 70498408
10-Methoxy-1,2,8a,9,10,10a-hexahydroanthracene
CID 123917894
[(2E)-2-ethenyl-1-methoxypenta-2,4-dienyl]cyclohexane
CID 145552558
5-Methoxy-1,5-dipropylcyclohexa-1,3-diene
CID 172766298
(6R)-2-ethyl-6-heptyl-5-methoxycyclohexa-1,3-diene
CID 142978273

Frequently Asked Questions

What is the IUPAC name of 11-fluoro-11-methoxybicyclo[5.3.1]undeca-1(10),8-diene?
The IUPAC name of 11-fluoro-11-methoxybicyclo[5.3.1]undeca-1(10),8-diene (CID 11745568) is 11-fluoro-11-methoxybicyclo[5.3.1]undeca-1(10),8-diene.
What is the SMILES notation for 11-fluoro-11-methoxybicyclo[5.3.1]undeca-1(10),8-diene?
The canonical SMILES for 11-fluoro-11-methoxybicyclo[5.3.1]undeca-1(10),8-diene is COC1(F)C2=CC=CC1CCCCC2.
What is the InChIKey of 11-fluoro-11-methoxybicyclo[5.3.1]undeca-1(10),8-diene?
The InChIKey is UZSQAGVEMRNYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-14-12(13)10-6-3-2-4-7-11(12)9-5-8-10/h5,8-10H,2-4,6-7H2,1H3.
What are the key properties of 11-fluoro-11-methoxybicyclo[5.3.1]undeca-1(10),8-diene?
11-fluoro-11-methoxybicyclo[5.3.1]undeca-1(10),8-diene has a molecular weight of 196.26 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-fluoro-11-methoxybicyclo[5.3.1]undeca-1(10),8-diene is sourced from PubChem (CID 11745568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).