(4-bromophenyl)methyl 2-fluorobenzoate

C14H10BrFO2 — CID 2347288

IUPAC(4-bromophenyl)methyl 2-fluorobenzoate
SMILESO=C(OCc1ccc(Br)cc1)c1ccccc1F
InChIInChI=1S/C14H10BrFO2/c15-11-7-5-10(6-8-11)9-18-14(17)12-3-1-2-4-13(12)16/h1-8H,9H2
InChIKeyFENGCFGWKUEMAM-UHFFFAOYSA-N
MW309.13 g/mol
LogP3.95
Rot. Bonds3

About (4-bromophenyl)methyl 2-fluorobenzoate

(4-bromophenyl)methyl 2-fluorobenzoate (PubChem CID 2347288) has the molecular formula C14H10BrFO2 and a molecular weight of 309.13 g/mol. Its IUPAC name is (4-bromophenyl)methyl 2-fluorobenzoate.

Molecular Properties

Compound Name(4-bromophenyl)methyl 2-fluorobenzoate
PubChem CID2347288
Molecular FormulaC14H10BrFO2
Molecular Weight309.13 g/mol
Exact Mass307.98
IUPAC Name(4-bromophenyl)methyl 2-fluorobenzoate
SMILESO=C(OCc1ccc(Br)cc1)c1ccccc1F
InChIInChI=1S/C14H10BrFO2/c15-11-7-5-10(6-8-11)9-18-14(17)12-3-1-2-4-13(12)16/h1-8H,9H2
InChIKeyFENGCFGWKUEMAM-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.13
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromophenyl)methyl 4-amino-2,5-difluorobenzoate
CID 104700330
[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-fluorobenzoate
CID 2511431
benzyl 2,3-difluorobenzoate
CID 62867579
(4-carbamoylphenyl)methyl 4-bromo-2-fluorobenzoate
CID 27190942
(4-chlorophenyl)methyl 2-bromobenzoate
CID 962049
(4-bromophenyl)methyl 2,3-difluoropyridine-4-carboxylate
CID 105391854
2,2,2-tribromoethyl 2-fluorobenzoate
CID 134101352
benzyl 4-bromobenzoate
CID 603177
dibenzyl 4-bromobenzene-1,2-dicarboxylate
CID 23134371
(4-bromophenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 46663557
(4-bromophenyl)methyl 2,4-dichlorobenzoate
CID 1218346
(3-methoxyphenyl)methyl 2-fluorobenzoate
CID 57332820

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl 2-fluorobenzoate?
The IUPAC name of (4-bromophenyl)methyl 2-fluorobenzoate (CID 2347288) is (4-bromophenyl)methyl 2-fluorobenzoate.
What is the SMILES notation for (4-bromophenyl)methyl 2-fluorobenzoate?
The canonical SMILES for (4-bromophenyl)methyl 2-fluorobenzoate is O=C(OCc1ccc(Br)cc1)c1ccccc1F.
What is the InChIKey of (4-bromophenyl)methyl 2-fluorobenzoate?
The InChIKey is FENGCFGWKUEMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFO2/c15-11-7-5-10(6-8-11)9-18-14(17)12-3-1-2-4-13(12)16/h1-8H,9H2.
What are the key properties of (4-bromophenyl)methyl 2-fluorobenzoate?
(4-bromophenyl)methyl 2-fluorobenzoate has a molecular weight of 309.13 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl 2-fluorobenzoate is sourced from PubChem (CID 2347288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).