7-bromo-3,4,4,5-tetrafluoro-2,3-dihydronaphthalen-1-one

C10H5BrF4O — CID 58995694

IUPAC7-bromo-3,4,4,5-tetrafluoro-2,3-dihydronaphthalen-1-one
SMILESO=C1CC(F)C(F)(F)c2c(F)cc(Br)cc21
InChIInChI=1S/C10H5BrF4O/c11-4-1-5-7(16)3-8(13)10(14,15)9(5)6(12)2-4/h1-2,8H,3H2
InChIKeyFMZPCCDKAZEUHK-UHFFFAOYSA-N
MW297.05 g/mol
LogP3.60
Rot. Bonds

About 7-bromo-3,4,4,5-tetrafluoro-2,3-dihydronaphthalen-1-one

7-bromo-3,4,4,5-tetrafluoro-2,3-dihydronaphthalen-1-one (PubChem CID 58995694) has the molecular formula C10H5BrF4O and a molecular weight of 297.05 g/mol. Its IUPAC name is 7-bromo-3,4,4,5-tetrafluoro-2,3-dihydronaphthalen-1-one.

Molecular Properties

Compound Name7-bromo-3,4,4,5-tetrafluoro-2,3-dihydronaphthalen-1-one
PubChem CID58995694
Molecular FormulaC10H5BrF4O
Molecular Weight297.05 g/mol
Exact Mass295.95
IUPAC Name7-bromo-3,4,4,5-tetrafluoro-2,3-dihydronaphthalen-1-one
SMILESO=C1CC(F)C(F)(F)c2c(F)cc(Br)cc21
InChIInChI=1S/C10H5BrF4O/c11-4-1-5-7(16)3-8(13)10(14,15)9(5)6(12)2-4/h1-2,8H,3H2
InChIKeyFMZPCCDKAZEUHK-UHFFFAOYSA-N
XLogP3.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.05
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 58424087
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CID 114674291

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3,4,4,5-tetrafluoro-2,3-dihydronaphthalen-1-one?
The IUPAC name of 7-bromo-3,4,4,5-tetrafluoro-2,3-dihydronaphthalen-1-one (CID 58995694) is 7-bromo-3,4,4,5-tetrafluoro-2,3-dihydronaphthalen-1-one.
What is the SMILES notation for 7-bromo-3,4,4,5-tetrafluoro-2,3-dihydronaphthalen-1-one?
The canonical SMILES for 7-bromo-3,4,4,5-tetrafluoro-2,3-dihydronaphthalen-1-one is O=C1CC(F)C(F)(F)c2c(F)cc(Br)cc21.
What is the InChIKey of 7-bromo-3,4,4,5-tetrafluoro-2,3-dihydronaphthalen-1-one?
The InChIKey is FMZPCCDKAZEUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF4O/c11-4-1-5-7(16)3-8(13)10(14,15)9(5)6(12)2-4/h1-2,8H,3H2.
What are the key properties of 7-bromo-3,4,4,5-tetrafluoro-2,3-dihydronaphthalen-1-one?
7-bromo-3,4,4,5-tetrafluoro-2,3-dihydronaphthalen-1-one has a molecular weight of 297.05 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3,4,4,5-tetrafluoro-2,3-dihydronaphthalen-1-one is sourced from PubChem (CID 58995694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).