2-(4-bromo-2-fluorophenyl)-1-(cyclohepten-1-yl)ethanone

C15H16BrFO — CID 103450420

IUPAC2-(4-bromo-2-fluorophenyl)-1-(cyclohepten-1-yl)ethanone
SMILESO=C(Cc1ccc(Br)cc1F)C1=CCCCCC1
InChIInChI=1S/C15H16BrFO/c16-13-8-7-12(14(17)10-13)9-15(18)11-5-3-1-2-4-6-11/h5,7-8,10H,1-4,6,9H2
InChIKeyZDBSJJNZHQJEBP-UHFFFAOYSA-N
MW311.19 g/mol
LogP4.59
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-1-(cyclohepten-1-yl)ethanone

2-(4-bromo-2-fluorophenyl)-1-(cyclohepten-1-yl)ethanone (PubChem CID 103450420) has the molecular formula C15H16BrFO and a molecular weight of 311.19 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(cyclohepten-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(cyclohepten-1-yl)ethanone
PubChem CID103450420
Molecular FormulaC15H16BrFO
Molecular Weight311.19 g/mol
Exact Mass310.04
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(cyclohepten-1-yl)ethanone
SMILESO=C(Cc1ccc(Br)cc1F)C1=CCCCCC1
InChIInChI=1S/C15H16BrFO/c16-13-8-7-12(14(17)10-13)9-15(18)11-5-3-1-2-4-6-11/h5,7-8,10H,1-4,6,9H2
InChIKeyZDBSJJNZHQJEBP-UHFFFAOYSA-N
XLogP4.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(cyclohepten-1-yl)ethanone
CID 103450574
2-(2-bromo-5-fluorophenyl)-1-(cyclopenten-1-yl)ethanone
CID 103448174
1,2-bis(4-bromo-2-fluorophenyl)ethanone
CID 114905955
2-(4-bromophenyl)sulfanyl-1-[(1E)-cycloocten-1-yl]ethanone
CID 106651942
1-(cyclopenten-1-yl)-2-(2,4-dichlorophenyl)ethanone
CID 103448039
3-(4-bromo-2-fluorophenyl)-1,1,1-trifluoropropan-2-one
CID 62963334
2-(4-bromo-2-fluorophenyl)acetyl iodide
CID 90435604
2-(3-bromothiophen-2-yl)-1-(cyclohexen-1-yl)ethanone
CID 103449846
2-(4-bromo-2-fluorophenyl)-1-(2-chloro-4-fluorophenyl)ethanone
CID 63410449
3-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655124
(6-bromonaphthalen-2-yl)-(cyclohexen-1-yl)methanone
CID 115353718
2-(4-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 114968519

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(cyclohepten-1-yl)ethanone?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(cyclohepten-1-yl)ethanone (CID 103450420) is 2-(4-bromo-2-fluorophenyl)-1-(cyclohepten-1-yl)ethanone.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(cyclohepten-1-yl)ethanone?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(cyclohepten-1-yl)ethanone is O=C(Cc1ccc(Br)cc1F)C1=CCCCCC1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(cyclohepten-1-yl)ethanone?
The InChIKey is ZDBSJJNZHQJEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFO/c16-13-8-7-12(14(17)10-13)9-15(18)11-5-3-1-2-4-6-11/h5,7-8,10H,1-4,6,9H2.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(cyclohepten-1-yl)ethanone?
2-(4-bromo-2-fluorophenyl)-1-(cyclohepten-1-yl)ethanone has a molecular weight of 311.19 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-(cyclohepten-1-yl)ethanone is sourced from PubChem (CID 103450420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).