1-(2-bromo-4-fluorophenyl)-2-naphthalen-1-ylethanone

C18H12BrFO — CID 63528898

IUPAC1-(2-bromo-4-fluorophenyl)-2-naphthalen-1-ylethanone
SMILESO=C(Cc1cccc2ccccc12)c1ccc(F)cc1Br
InChIInChI=1S/C18H12BrFO/c19-17-11-14(20)8-9-16(17)18(21)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11H,10H2
InChIKeyCWMHHUVQWXMWJH-UHFFFAOYSA-N
MW343.20 g/mol
LogP5.17
Rot. Bonds3

About 1-(2-bromo-4-fluorophenyl)-2-naphthalen-1-ylethanone

1-(2-bromo-4-fluorophenyl)-2-naphthalen-1-ylethanone (PubChem CID 63528898) has the molecular formula C18H12BrFO and a molecular weight of 343.20 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-2-naphthalen-1-ylethanone
PubChem CID63528898
Molecular FormulaC18H12BrFO
Molecular Weight343.20 g/mol
Exact Mass342.01
IUPAC Name1-(2-bromo-4-fluorophenyl)-2-naphthalen-1-ylethanone
SMILESO=C(Cc1cccc2ccccc12)c1ccc(F)cc1Br
InChIInChI=1S/C18H12BrFO/c19-17-11-14(20)8-9-16(17)18(21)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11H,10H2
InChIKeyCWMHHUVQWXMWJH-UHFFFAOYSA-N
XLogP5.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.20
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-fluoro-2-methylphenyl)-2-naphthalen-1-ylethanone
CID 63409453
1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114968179
1-(2-bromo-4-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63527175
1-(2-bromo-4-fluorophenyl)-2-thiophen-2-ylethanone
CID 61056276
1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61078965
2,4-difluoro-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 42386169
1-(2-bromo-4-fluorophenyl)-5-hydroxypentane-1,4-dione
CID 146417198
2-(2-bromophenyl)-1-(2,4-dibromophenyl)ethanone
CID 114019079
1-(2,4-difluorophenyl)-2-(2-fluorophenyl)ethanone
CID 43337688
1-(2-amino-5-methylphenyl)-2-naphthalen-1-ylethanone
CID 116581294
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 114025529
[4-(2-bromo-4-fluorophenyl)-4-oxobutanoyl]oxidanium
CID 164966859

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-naphthalen-1-ylethanone?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-naphthalen-1-ylethanone (CID 63528898) is 1-(2-bromo-4-fluorophenyl)-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-2-naphthalen-1-ylethanone is O=C(Cc1cccc2ccccc12)c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-2-naphthalen-1-ylethanone?
The InChIKey is CWMHHUVQWXMWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrFO/c19-17-11-14(20)8-9-16(17)18(21)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11H,10H2.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-2-naphthalen-1-ylethanone?
1-(2-bromo-4-fluorophenyl)-2-naphthalen-1-ylethanone has a molecular weight of 343.20 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-2-naphthalen-1-ylethanone is sourced from PubChem (CID 63528898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).