2-bromo-1-(9H-fluoren-3-yl)butan-1-one

C17H15BrO — CID 55182930

IUPAC2-bromo-1-(9H-fluoren-3-yl)butan-1-one
SMILESCCC(Br)C(=O)c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C17H15BrO/c1-2-16(18)17(19)13-8-7-12-9-11-5-3-4-6-14(11)15(12)10-13/h3-8,10,16H,2,9H2,1H3
InChIKeyFXVZNXPAQKGLPO-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.61
Rot. Bonds3

About 2-bromo-1-(9H-fluoren-3-yl)butan-1-one

2-bromo-1-(9H-fluoren-3-yl)butan-1-one (PubChem CID 55182930) has the molecular formula C17H15BrO and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-bromo-1-(9H-fluoren-3-yl)butan-1-one.

Molecular Properties

Compound Name2-bromo-1-(9H-fluoren-3-yl)butan-1-one
PubChem CID55182930
Molecular FormulaC17H15BrO
Molecular Weight315.21 g/mol
Exact Mass314.03
IUPAC Name2-bromo-1-(9H-fluoren-3-yl)butan-1-one
SMILESCCC(Br)C(=O)c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C17H15BrO/c1-2-16(18)17(19)13-8-7-12-9-11-5-3-4-6-14(11)15(12)10-13/h3-8,10,16H,2,9H2,1H3
InChIKeyFXVZNXPAQKGLPO-UHFFFAOYSA-N
XLogP4.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.61
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

2-chloro-1-(9H-fluoren-3-yl)propan-1-one
CID 43184652
N'-methyl-9H-fluorene-3-carbohydrazide
CID 174829565
9H-fluorene;propanoic acid
CID 67831567
1-(9H-fluoren-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylethanone
CID 7467328
3-ethylpentane;bis(9H-fluorene)
CID 161034043
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
cyclobutyl(9H-fluoren-3-yl)methanone
CID 43337992
N-[(1S)-1-cyclopropylethyl]-9H-fluorene-3-carboxamide
CID 142797718
ethane;9H-fluorene;propanoic acid
CID 90836645
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-bromobenzoate
CID 7662912
2-(2-chlorophenoxy)-1-(9H-fluoren-3-yl)ethanone
CID 2121351
1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione
CID 132527641

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(9H-fluoren-3-yl)butan-1-one?
The IUPAC name of 2-bromo-1-(9H-fluoren-3-yl)butan-1-one (CID 55182930) is 2-bromo-1-(9H-fluoren-3-yl)butan-1-one.
What is the SMILES notation for 2-bromo-1-(9H-fluoren-3-yl)butan-1-one?
The canonical SMILES for 2-bromo-1-(9H-fluoren-3-yl)butan-1-one is CCC(Br)C(=O)c1ccc2c(c1)-c1ccccc1C2.
What is the InChIKey of 2-bromo-1-(9H-fluoren-3-yl)butan-1-one?
The InChIKey is FXVZNXPAQKGLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO/c1-2-16(18)17(19)13-8-7-12-9-11-5-3-4-6-14(11)15(12)10-13/h3-8,10,16H,2,9H2,1H3.
What are the key properties of 2-bromo-1-(9H-fluoren-3-yl)butan-1-one?
2-bromo-1-(9H-fluoren-3-yl)butan-1-one has a molecular weight of 315.21 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(9H-fluoren-3-yl)butan-1-one is sourced from PubChem (CID 55182930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).