(5Z)-2-fluoro-9,10-dihydro-8H-benzo[8]annulen-7-one

C12H11FO — CID 11424054

IUPAC(5Z)-2-fluoro-9,10-dihydro-8H-benzo[8]annulen-7-one
SMILESO=C1/C=C\c2ccc(F)cc2CCC1
InChIInChI=1S/C12H11FO/c13-11-6-4-9-5-7-12(14)3-1-2-10(9)8-11/h4-8H,1-3H2/b7-5-
InChIKeyRNAZSWRXOGCWNE-ALCCZGGFSA-N
MW190.22 g/mol
LogP2.74
Rot. Bonds

About (5Z)-2-fluoro-9,10-dihydro-8H-benzo[8]annulen-7-one

(5Z)-2-fluoro-9,10-dihydro-8H-benzo[8]annulen-7-one (PubChem CID 11424054) has the molecular formula C12H11FO and a molecular weight of 190.22 g/mol. Its IUPAC name is (5Z)-2-fluoro-9,10-dihydro-8H-benzo[8]annulen-7-one.

Molecular Properties

Compound Name(5Z)-2-fluoro-9,10-dihydro-8H-benzo[8]annulen-7-one
PubChem CID11424054
Molecular FormulaC12H11FO
Molecular Weight190.22 g/mol
Exact Mass190.08
IUPAC Name(5Z)-2-fluoro-9,10-dihydro-8H-benzo[8]annulen-7-one
SMILESO=C1/C=C\c2ccc(F)cc2CCC1
InChIInChI=1S/C12H11FO/c13-11-6-4-9-5-7-12(14)3-1-2-10(9)8-11/h4-8H,1-3H2/b7-5-
InChIKeyRNAZSWRXOGCWNE-ALCCZGGFSA-N
XLogP2.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-fluoro-9,10-dihydro-8H-benzo[8]annulen-7-one?
The IUPAC name of (5Z)-2-fluoro-9,10-dihydro-8H-benzo[8]annulen-7-one (CID 11424054) is (5Z)-2-fluoro-9,10-dihydro-8H-benzo[8]annulen-7-one.
What is the SMILES notation for (5Z)-2-fluoro-9,10-dihydro-8H-benzo[8]annulen-7-one?
The canonical SMILES for (5Z)-2-fluoro-9,10-dihydro-8H-benzo[8]annulen-7-one is O=C1/C=C\c2ccc(F)cc2CCC1.
What is the InChIKey of (5Z)-2-fluoro-9,10-dihydro-8H-benzo[8]annulen-7-one?
The InChIKey is RNAZSWRXOGCWNE-ALCCZGGFSA-N. The full InChI is InChI=1S/C12H11FO/c13-11-6-4-9-5-7-12(14)3-1-2-10(9)8-11/h4-8H,1-3H2/b7-5-.
What are the key properties of (5Z)-2-fluoro-9,10-dihydro-8H-benzo[8]annulen-7-one?
(5Z)-2-fluoro-9,10-dihydro-8H-benzo[8]annulen-7-one has a molecular weight of 190.22 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-fluoro-9,10-dihydro-8H-benzo[8]annulen-7-one is sourced from PubChem (CID 11424054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).