(2,7-dibromo-9H-fluoren-9-yl) 2-methylprop-2-enoate

C17H12Br2O2 — CID 71426708

IUPAC(2,7-dibromo-9H-fluoren-9-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C17H12Br2O2/c1-9(2)17(20)21-16-14-7-10(18)3-5-12(14)13-6-4-11(19)8-15(13)16/h3-8,16H,1H2,2H3
InChIKeyAXXZDISOSBQUKW-UHFFFAOYSA-N
MW408.09 g/mol
LogP5.40
Rot. Bonds2

About (2,7-dibromo-9H-fluoren-9-yl) 2-methylprop-2-enoate

(2,7-dibromo-9H-fluoren-9-yl) 2-methylprop-2-enoate (PubChem CID 71426708) has the molecular formula C17H12Br2O2 and a molecular weight of 408.09 g/mol. Its IUPAC name is (2,7-dibromo-9H-fluoren-9-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2,7-dibromo-9H-fluoren-9-yl) 2-methylprop-2-enoate
PubChem CID71426708
Molecular FormulaC17H12Br2O2
Molecular Weight408.09 g/mol
Exact Mass405.92
IUPAC Name(2,7-dibromo-9H-fluoren-9-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C17H12Br2O2/c1-9(2)17(20)21-16-14-7-10(18)3-5-12(14)13-6-4-11(19)8-15(13)16/h3-8,16H,1H2,2H3
InChIKeyAXXZDISOSBQUKW-UHFFFAOYSA-N
XLogP5.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.09
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 169090875
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9-Fluorenyl methacrylate
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4-Bromo-1-indanyl acetate
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9H-Fluoren-9-YL acrylate
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[(1R)-6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-yl] acetate
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(6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-yl) acetate
CID 154944159
5-bromo-1-[(3,4-difluorophenyl)methoxy]-2,3-dihydro-1H-indene
CID 176209519
2-(3-bromophenyl)-3-phenyl-2H-furan-5-one
CID 53356245
2',7'-Dibromospiro[1,3-dioxolane-2,9'-fluorene]
CID 69294899
[(E)-1,3-bis(4-bromophenyl)prop-2-enyl] acetate
CID 15316489
[(1R,2S,3S)-3-ethenyl-2-methyl-2,3-dihydro-1H-inden-1-yl] 4-bromobenzoate
CID 102498762

Frequently Asked Questions

What is the IUPAC name of (2,7-dibromo-9H-fluoren-9-yl) 2-methylprop-2-enoate?
The IUPAC name of (2,7-dibromo-9H-fluoren-9-yl) 2-methylprop-2-enoate (CID 71426708) is (2,7-dibromo-9H-fluoren-9-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (2,7-dibromo-9H-fluoren-9-yl) 2-methylprop-2-enoate?
The canonical SMILES for (2,7-dibromo-9H-fluoren-9-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of (2,7-dibromo-9H-fluoren-9-yl) 2-methylprop-2-enoate?
The InChIKey is AXXZDISOSBQUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Br2O2/c1-9(2)17(20)21-16-14-7-10(18)3-5-12(14)13-6-4-11(19)8-15(13)16/h3-8,16H,1H2,2H3.
What are the key properties of (2,7-dibromo-9H-fluoren-9-yl) 2-methylprop-2-enoate?
(2,7-dibromo-9H-fluoren-9-yl) 2-methylprop-2-enoate has a molecular weight of 408.09 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dibromo-9H-fluoren-9-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 71426708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).