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

C12H13FO2 — CID 169495029

IUPAC2-fluoro-3-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
SMILESCOc1cc2c(cc1F)CCCCC2=O
InChIInChI=1S/C12H13FO2/c1-15-12-7-9-8(6-10(12)13)4-2-3-5-11(9)14/h6-7H,2-5H2,1H3
InChIKeyWNVFOHYULITJNU-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.74
Rot. Bonds1

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

2-fluoro-3-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (PubChem CID 169495029) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-fluoro-3-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one.

Molecular Properties

Compound Name2-fluoro-3-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
PubChem CID169495029
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name2-fluoro-3-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
SMILESCOc1cc2c(cc1F)CCCCC2=O
InChIInChI=1S/C12H13FO2/c1-15-12-7-9-8(6-10(12)13)4-2-3-5-11(9)14/h6-7H,2-5H2,1H3
InChIKeyWNVFOHYULITJNU-UHFFFAOYSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-3-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one with MolForge

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Related Compounds

7-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 10241621
6-methoxy-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one
CID 121429782
3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676205
3-methoxy-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonyl chloride
CID 43118917
2-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one
CID 83208382
methyl (2R)-7-fluoro-6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate
CID 67550146
2,3-dipropoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 62731892
5-(difluoromethoxy)-6-methoxy-2,3-dihydroinden-1-one
CID 69202251
15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene
CID 15938960
5-ethoxy-6-methoxy-2,3-dihydroinden-1-one
CID 14635993
6,7-dipropoxy-3,4-dihydro-2H-naphthalen-1-one
CID 10084070
methyl (E)-2-(3-fluoro-8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3-methoxyprop-2-enoate
CID 155576328

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The IUPAC name of 2-fluoro-3-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (CID 169495029) is 2-fluoro-3-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one.
What is the SMILES notation for 2-fluoro-3-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The canonical SMILES for 2-fluoro-3-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is COc1cc2c(cc1F)CCCCC2=O.
What is the InChIKey of 2-fluoro-3-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The InChIKey is WNVFOHYULITJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-15-12-7-9-8(6-10(12)13)4-2-3-5-11(9)14/h6-7H,2-5H2,1H3.
What are the key properties of 2-fluoro-3-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
2-fluoro-3-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one has a molecular weight of 208.23 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is sourced from PubChem (CID 169495029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).