9H-fluoren-9-ylmethyl 2-bromoacetate

C16H13BrO2 — CID 86059891

IUPAC9H-fluoren-9-ylmethyl 2-bromoacetate
SMILESO=C(CBr)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H13BrO2/c17-9-16(18)19-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2
InChIKeyHDYSQKZNKMVBAA-UHFFFAOYSA-N
MW317.18 g/mol
LogP3.74
Rot. Bonds3

About 9H-fluoren-9-ylmethyl 2-bromoacetate

9H-fluoren-9-ylmethyl 2-bromoacetate (PubChem CID 86059891) has the molecular formula C16H13BrO2 and a molecular weight of 317.18 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 2-bromoacetate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 2-bromoacetate
PubChem CID86059891
Molecular FormulaC16H13BrO2
Molecular Weight317.18 g/mol
Exact Mass316.01
IUPAC Name9H-fluoren-9-ylmethyl 2-bromoacetate
SMILESO=C(CBr)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H13BrO2/c17-9-16(18)19-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2
InChIKeyHDYSQKZNKMVBAA-UHFFFAOYSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine
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CID 23573686
9H-fluoren-9-ylmethyl 2-phenylacetate
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bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate
CID 11511488
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl carbamate;hydrochloride
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9H-fluoren-9-ylmethyl N-iodocarbamate
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2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
CID 14559129
9H-fluoren-9-ylmethyl 2-formyloxyacetate
CID 54320738
9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
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9H-fluoren-9-ylmethyl 2-(methoxyamino)acetate
CID 146329215

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 2-bromoacetate?
The IUPAC name of 9H-fluoren-9-ylmethyl 2-bromoacetate (CID 86059891) is 9H-fluoren-9-ylmethyl 2-bromoacetate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 2-bromoacetate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 2-bromoacetate is O=C(CBr)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl 2-bromoacetate?
The InChIKey is HDYSQKZNKMVBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrO2/c17-9-16(18)19-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2.
What are the key properties of 9H-fluoren-9-ylmethyl 2-bromoacetate?
9H-fluoren-9-ylmethyl 2-bromoacetate has a molecular weight of 317.18 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 2-bromoacetate is sourced from PubChem (CID 86059891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).