2,3-difluoro-5,6,8,9-tetrahydrobenzo[7]annulen-7-one

C11H10F2O — CID 170903437

IUPAC2,3-difluoro-5,6,8,9-tetrahydrobenzo[7]annulen-7-one
SMILESO=C1CCc2cc(F)c(F)cc2CC1
InChIInChI=1S/C11H10F2O/c12-10-5-7-1-3-9(14)4-2-8(7)6-11(10)13/h5-6H,1-4H2
InChIKeyYENKUFPRBGMUQC-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.41
Rot. Bonds

About 2,3-difluoro-5,6,8,9-tetrahydrobenzo[7]annulen-7-one

2,3-difluoro-5,6,8,9-tetrahydrobenzo[7]annulen-7-one (PubChem CID 170903437) has the molecular formula C11H10F2O and a molecular weight of 196.20 g/mol. Its IUPAC name is 2,3-difluoro-5,6,8,9-tetrahydrobenzo[7]annulen-7-one.

Molecular Properties

Compound Name2,3-difluoro-5,6,8,9-tetrahydrobenzo[7]annulen-7-one
PubChem CID170903437
Molecular FormulaC11H10F2O
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2,3-difluoro-5,6,8,9-tetrahydrobenzo[7]annulen-7-one
SMILESO=C1CCc2cc(F)c(F)cc2CC1
InChIInChI=1S/C11H10F2O/c12-10-5-7-1-3-9(14)4-2-8(7)6-11(10)13/h5-6H,1-4H2
InChIKeyYENKUFPRBGMUQC-UHFFFAOYSA-N
XLogP2.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 19699282
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6,8-difluoro-3,4-dihydrochromen-2-one
CID 83397289
cyclohexane-1,4-dione;ethene
CID 22146617
sodium;cyclohexane-1,4-dione;hydroxide
CID 175584383
7-fluoro-1-oxo-2,3-dihydroindene-5-carbaldehyde
CID 164603309
7-fluoro-1-oxo-2,3-dihydroindene-5-carboxylic acid
CID 55297061
7-chloro-3,4-dihydro-1H-naphthalen-2-one
CID 4065216
4-cyclopropylidenecyclohexan-1-one
CID 22502174
6-bromo-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one
CID 131399948
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CID 83988269

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5,6,8,9-tetrahydrobenzo[7]annulen-7-one?
The IUPAC name of 2,3-difluoro-5,6,8,9-tetrahydrobenzo[7]annulen-7-one (CID 170903437) is 2,3-difluoro-5,6,8,9-tetrahydrobenzo[7]annulen-7-one.
What is the SMILES notation for 2,3-difluoro-5,6,8,9-tetrahydrobenzo[7]annulen-7-one?
The canonical SMILES for 2,3-difluoro-5,6,8,9-tetrahydrobenzo[7]annulen-7-one is O=C1CCc2cc(F)c(F)cc2CC1.
What is the InChIKey of 2,3-difluoro-5,6,8,9-tetrahydrobenzo[7]annulen-7-one?
The InChIKey is YENKUFPRBGMUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O/c12-10-5-7-1-3-9(14)4-2-8(7)6-11(10)13/h5-6H,1-4H2.
What are the key properties of 2,3-difluoro-5,6,8,9-tetrahydrobenzo[7]annulen-7-one?
2,3-difluoro-5,6,8,9-tetrahydrobenzo[7]annulen-7-one has a molecular weight of 196.20 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5,6,8,9-tetrahydrobenzo[7]annulen-7-one is sourced from PubChem (CID 170903437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).