11-fluoro-6,7,8,9,10,11-hexahydrobenzo[9]annulen-5-one

C13H15FO — CID 134861406

IUPAC11-fluoro-6,7,8,9,10,11-hexahydrobenzo[9]annulen-5-one
SMILESO=C1CCCCCC(F)c2ccccc21
InChIInChI=1S/C13H15FO/c14-12-8-2-1-3-9-13(15)11-7-5-4-6-10(11)12/h4-7,12H,1-3,8-9H2
InChIKeyKHHLNHXSRXTQOZ-UHFFFAOYSA-N
MW206.26 g/mol
LogP3.84
Rot. Bonds

About 11-fluoro-6,7,8,9,10,11-hexahydrobenzo[9]annulen-5-one

11-fluoro-6,7,8,9,10,11-hexahydrobenzo[9]annulen-5-one (PubChem CID 134861406) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is 11-fluoro-6,7,8,9,10,11-hexahydrobenzo[9]annulen-5-one.

Molecular Properties

Compound Name11-fluoro-6,7,8,9,10,11-hexahydrobenzo[9]annulen-5-one
PubChem CID134861406
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name11-fluoro-6,7,8,9,10,11-hexahydrobenzo[9]annulen-5-one
SMILESO=C1CCCCCC(F)c2ccccc21
InChIInChI=1S/C13H15FO/c14-12-8-2-1-3-9-13(15)11-7-5-4-6-10(11)12/h4-7,12H,1-3,8-9H2
InChIKeyKHHLNHXSRXTQOZ-UHFFFAOYSA-N
XLogP3.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11-fluoro-6,7,8,9,10,11-hexahydrobenzo[9]annulen-5-one?
The IUPAC name of 11-fluoro-6,7,8,9,10,11-hexahydrobenzo[9]annulen-5-one (CID 134861406) is 11-fluoro-6,7,8,9,10,11-hexahydrobenzo[9]annulen-5-one.
What is the SMILES notation for 11-fluoro-6,7,8,9,10,11-hexahydrobenzo[9]annulen-5-one?
The canonical SMILES for 11-fluoro-6,7,8,9,10,11-hexahydrobenzo[9]annulen-5-one is O=C1CCCCCC(F)c2ccccc21.
What is the InChIKey of 11-fluoro-6,7,8,9,10,11-hexahydrobenzo[9]annulen-5-one?
The InChIKey is KHHLNHXSRXTQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO/c14-12-8-2-1-3-9-13(15)11-7-5-4-6-10(11)12/h4-7,12H,1-3,8-9H2.
What are the key properties of 11-fluoro-6,7,8,9,10,11-hexahydrobenzo[9]annulen-5-one?
11-fluoro-6,7,8,9,10,11-hexahydrobenzo[9]annulen-5-one has a molecular weight of 206.26 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-fluoro-6,7,8,9,10,11-hexahydrobenzo[9]annulen-5-one is sourced from PubChem (CID 134861406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).