2-bromo-1-(5-fluoro-7-methylnaphthalen-1-yl)propan-1-one

C14H12BrFO — CID 143275032

IUPAC2-bromo-1-(5-fluoro-7-methylnaphthalen-1-yl)propan-1-one
SMILESCc1cc(F)c2cccc(C(=O)C(C)Br)c2c1
InChIInChI=1S/C14H12BrFO/c1-8-6-12-10(13(16)7-8)4-3-5-11(12)14(17)9(2)15/h3-7,9H,1-2H3
InChIKeyCPJDOCPALSOCNJ-UHFFFAOYSA-N
MW295.15 g/mol
LogP4.25
Rot. Bonds2

About 2-bromo-1-(5-fluoro-7-methylnaphthalen-1-yl)propan-1-one

2-bromo-1-(5-fluoro-7-methylnaphthalen-1-yl)propan-1-one (PubChem CID 143275032) has the molecular formula C14H12BrFO and a molecular weight of 295.15 g/mol. Its IUPAC name is 2-bromo-1-(5-fluoro-7-methylnaphthalen-1-yl)propan-1-one.

Molecular Properties

Compound Name2-bromo-1-(5-fluoro-7-methylnaphthalen-1-yl)propan-1-one
PubChem CID143275032
Molecular FormulaC14H12BrFO
Molecular Weight295.15 g/mol
Exact Mass294.01
IUPAC Name2-bromo-1-(5-fluoro-7-methylnaphthalen-1-yl)propan-1-one
SMILESCc1cc(F)c2cccc(C(=O)C(C)Br)c2c1
InChIInChI=1S/C14H12BrFO/c1-8-6-12-10(13(16)7-8)4-3-5-11(12)14(17)9(2)15/h3-7,9H,1-2H3
InChIKeyCPJDOCPALSOCNJ-UHFFFAOYSA-N
XLogP4.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-bromo-1-(2,4-difluorophenyl)propan-1-one
CID 9106630
2-bromo-1-[2-(bromomethyl)-3-fluorophenyl]propan-1-one
CID 130822914
2-bromo-1-[3-(bromomethyl)-2-fluorophenyl]propan-1-one
CID 130924550
ethyl 2-(2-bromopropanoyl)-6-fluorobenzoate
CID 134644419
1-[2,3-bis(sulfanyl)phenyl]-2-bromopropan-1-one
CID 130981620
2-bromo-1-(2-fluoro-4,5-dimethoxyphenyl)propan-1-one
CID 62866207
2-bromo-1-[2-fluoro-3-(trifluoromethoxy)phenyl]propan-1-one
CID 134619087
2-bromo-1-(3-ethoxy-2-fluorophenyl)propan-1-one
CID 134618855
2-bromo-1-[2-(difluoromethoxy)-3-(difluoromethyl)phenyl]propan-1-one
CID 134618580
2-bromo-1-[3-chloro-2-(difluoromethoxy)phenyl]propan-1-one
CID 134619168
2-bromo-1-(3-methylsulfanyl-2-sulfanylphenyl)propan-1-one
CID 130896284
2-(2-bromopropanoyl)-4-methylbenzaldehyde
CID 130855044

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(5-fluoro-7-methylnaphthalen-1-yl)propan-1-one?
The IUPAC name of 2-bromo-1-(5-fluoro-7-methylnaphthalen-1-yl)propan-1-one (CID 143275032) is 2-bromo-1-(5-fluoro-7-methylnaphthalen-1-yl)propan-1-one.
What is the SMILES notation for 2-bromo-1-(5-fluoro-7-methylnaphthalen-1-yl)propan-1-one?
The canonical SMILES for 2-bromo-1-(5-fluoro-7-methylnaphthalen-1-yl)propan-1-one is Cc1cc(F)c2cccc(C(=O)C(C)Br)c2c1.
What is the InChIKey of 2-bromo-1-(5-fluoro-7-methylnaphthalen-1-yl)propan-1-one?
The InChIKey is CPJDOCPALSOCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFO/c1-8-6-12-10(13(16)7-8)4-3-5-11(12)14(17)9(2)15/h3-7,9H,1-2H3.
What are the key properties of 2-bromo-1-(5-fluoro-7-methylnaphthalen-1-yl)propan-1-one?
2-bromo-1-(5-fluoro-7-methylnaphthalen-1-yl)propan-1-one has a molecular weight of 295.15 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(5-fluoro-7-methylnaphthalen-1-yl)propan-1-one is sourced from PubChem (CID 143275032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).