11-fluoro-11-propan-2-yloxybicyclo[5.3.1]undeca-1(10),8-diene

C14H21FO — CID 10955216

IUPAC11-fluoro-11-propan-2-yloxybicyclo[5.3.1]undeca-1(10),8-diene
SMILESCC(C)OC1(F)C2=CC=CC1CCCCC2
InChIInChI=1S/C14H21FO/c1-11(2)16-14(15)12-7-4-3-5-8-13(14)10-6-9-12/h6,9-12H,3-5,7-8H2,1-2H3
InChIKeyAOJZBURETRAEQR-UHFFFAOYSA-N
MW224.32 g/mol
LogP4.15
Rot. Bonds2

About 11-fluoro-11-propan-2-yloxybicyclo[5.3.1]undeca-1(10),8-diene

11-fluoro-11-propan-2-yloxybicyclo[5.3.1]undeca-1(10),8-diene (PubChem CID 10955216) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is 11-fluoro-11-propan-2-yloxybicyclo[5.3.1]undeca-1(10),8-diene.

Molecular Properties

Compound Name11-fluoro-11-propan-2-yloxybicyclo[5.3.1]undeca-1(10),8-diene
PubChem CID10955216
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Name11-fluoro-11-propan-2-yloxybicyclo[5.3.1]undeca-1(10),8-diene
SMILESCC(C)OC1(F)C2=CC=CC1CCCCC2
InChIInChI=1S/C14H21FO/c1-11(2)16-14(15)12-7-4-3-5-8-13(14)10-6-9-12/h6,9-12H,3-5,7-8H2,1-2H3
InChIKeyAOJZBURETRAEQR-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 11-fluoro-11-propan-2-yloxybicyclo[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
11-Fluoro-11-methoxybicyclo[5.3.1]undeca-1(10),8-diene
CID 11745568
6,6-Difluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-2,3-dihydropyran
CID 54054039
2-ethyl-6-fluoro-3,4,4a,8a-tetrahydro-2H-chromene
CID 58787098
8-Fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran
CID 71170245
9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene
CID 71170261
(3S,5S)-5-ethenyl-2-[(4R)-4-fluorocyclohexen-1-yl]-1-methyl-3-propan-2-yloxycyclohexene
CID 118018328
(6S)-1-ethyl-4-(4-fluorocyclohexen-1-yl)-6-methoxycyclohexene
CID 118018675
(6S)-1-[(E,4S,7S)-8-fluoro-7-methylundec-8-en-4-yl]-6-methoxy-3-methylcyclohexa-1,3-diene
CID 131969443
(2S)-2-(2-fluoro-5-methylcyclohexa-1,3-dien-1-yl)oxane
CID 132080865
2-(5-Fluoro-4-methylcyclohexa-2,4-dien-1-yl)-5-methyloxane
CID 143646700
(5S)-5-fluoro-5-(4-methylhexoxy)cyclohexa-1,3-diene
CID 154421990

Frequently Asked Questions

What is the IUPAC name of 11-fluoro-11-propan-2-yloxybicyclo[5.3.1]undeca-1(10),8-diene?
The IUPAC name of 11-fluoro-11-propan-2-yloxybicyclo[5.3.1]undeca-1(10),8-diene (CID 10955216) is 11-fluoro-11-propan-2-yloxybicyclo[5.3.1]undeca-1(10),8-diene.
What is the SMILES notation for 11-fluoro-11-propan-2-yloxybicyclo[5.3.1]undeca-1(10),8-diene?
The canonical SMILES for 11-fluoro-11-propan-2-yloxybicyclo[5.3.1]undeca-1(10),8-diene is CC(C)OC1(F)C2=CC=CC1CCCCC2.
What is the InChIKey of 11-fluoro-11-propan-2-yloxybicyclo[5.3.1]undeca-1(10),8-diene?
The InChIKey is AOJZBURETRAEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO/c1-11(2)16-14(15)12-7-4-3-5-8-13(14)10-6-9-12/h6,9-12H,3-5,7-8H2,1-2H3.
What are the key properties of 11-fluoro-11-propan-2-yloxybicyclo[5.3.1]undeca-1(10),8-diene?
11-fluoro-11-propan-2-yloxybicyclo[5.3.1]undeca-1(10),8-diene has a molecular weight of 224.32 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-fluoro-11-propan-2-yloxybicyclo[5.3.1]undeca-1(10),8-diene is sourced from PubChem (CID 10955216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).