5-bromo-6,7-difluoro-3,4-dihydro-2H-naphthalen-1-one

C10H7BrF2O — CID 171787843

IUPAC5-bromo-6,7-difluoro-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c1cc(F)c(F)c2Br
InChIInChI=1S/C10H7BrF2O/c11-9-5-2-1-3-8(14)6(5)4-7(12)10(9)13/h4H,1-3H2
InChIKeyINQRCPGASVABNG-UHFFFAOYSA-N
MW261.06 g/mol
LogP3.25
Rot. Bonds

About 5-bromo-6,7-difluoro-3,4-dihydro-2H-naphthalen-1-one

5-bromo-6,7-difluoro-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 171787843) has the molecular formula C10H7BrF2O and a molecular weight of 261.06 g/mol. Its IUPAC name is 5-bromo-6,7-difluoro-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-bromo-6,7-difluoro-3,4-dihydro-2H-naphthalen-1-one
PubChem CID171787843
Molecular FormulaC10H7BrF2O
Molecular Weight261.06 g/mol
Exact Mass259.96
IUPAC Name5-bromo-6,7-difluoro-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c1cc(F)c(F)c2Br
InChIInChI=1S/C10H7BrF2O/c11-9-5-2-1-3-8(14)6(5)4-7(12)10(9)13/h4H,1-3H2
InChIKeyINQRCPGASVABNG-UHFFFAOYSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.06
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-bromo-6-fluoro-5-sulfanyl-2,3-dihydroinden-1-one
CID 143203211
7-ethyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-one
CID 68574570
5-fluoro-6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 55297472
5,6-difluoro-4-methoxy-2,3-dihydroinden-1-one
CID 55271105
4-bromo-8-oxo-6,7-dihydro-5H-naphthalene-2-carbonitrile
CID 130038627
7-bromo-6-fluoro-2,3-dihydro-1H-inden-5-amine
CID 170283398
N-(3,4-difluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide
CID 22449548
(3R,4S)-4-amino-10-bromo-3-hydroxy-2,2-dimethyl-4,7,8,9-tetrahydro-3H-benzo[g]chromen-6-one
CID 70281801
1-bromo-7,8-dihydro-6H-isoquinolin-5-one
CID 130116533
7-fluoro-6-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 19036893
7-fluoro-6-(2-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 19036879
7-fluoro-8-(3-fluoro-5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalen-1-yl)-6-hydroxy-3,4-dihydro-2H-naphthalen-1-one
CID 134579726

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6,7-difluoro-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5-bromo-6,7-difluoro-3,4-dihydro-2H-naphthalen-1-one (CID 171787843) is 5-bromo-6,7-difluoro-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-bromo-6,7-difluoro-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5-bromo-6,7-difluoro-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2c1cc(F)c(F)c2Br.
What is the InChIKey of 5-bromo-6,7-difluoro-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is INQRCPGASVABNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2O/c11-9-5-2-1-3-8(14)6(5)4-7(12)10(9)13/h4H,1-3H2.
What are the key properties of 5-bromo-6,7-difluoro-3,4-dihydro-2H-naphthalen-1-one?
5-bromo-6,7-difluoro-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 261.06 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6,7-difluoro-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 171787843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).