(3-fluorophenyl)methyl 2-bromo-5-fluorobenzoate

C14H9BrF2O2 — CID 55404850

IUPAC(3-fluorophenyl)methyl 2-bromo-5-fluorobenzoate
SMILESO=C(OCc1cccc(F)c1)c1cc(F)ccc1Br
InChIInChI=1S/C14H9BrF2O2/c15-13-5-4-11(17)7-12(13)14(18)19-8-9-2-1-3-10(16)6-9/h1-7H,8H2
InChIKeyODLKRZRTUPTRBL-UHFFFAOYSA-N
MW327.12 g/mol
LogP4.08
Rot. Bonds3

About (3-fluorophenyl)methyl 2-bromo-5-fluorobenzoate

(3-fluorophenyl)methyl 2-bromo-5-fluorobenzoate (PubChem CID 55404850) has the molecular formula C14H9BrF2O2 and a molecular weight of 327.12 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 2-bromo-5-fluorobenzoate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 2-bromo-5-fluorobenzoate
PubChem CID55404850
Molecular FormulaC14H9BrF2O2
Molecular Weight327.12 g/mol
Exact Mass325.98
IUPAC Name(3-fluorophenyl)methyl 2-bromo-5-fluorobenzoate
SMILESO=C(OCc1cccc(F)c1)c1cc(F)ccc1Br
InChIInChI=1S/C14H9BrF2O2/c15-13-5-4-11(17)7-12(13)14(18)19-8-9-2-1-3-10(16)6-9/h1-7H,8H2
InChIKeyODLKRZRTUPTRBL-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.12
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[4-(difluoromethoxy)phenyl]methyl 2-bromo-5-fluorobenzoate
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2-hydroxyethyl 2-bromo-5-fluorobenzoate
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(3-fluorophenyl)methyl 5-chloro-2-hydroxybenzoate
CID 1252914
(3-fluorophenyl)methyl 2-amino-5-nitrobenzoate
CID 17487524
(3-chlorophenyl)methyl 2-bromo-5-sulfanylbenzoate
CID 107018861
butyl 2-bromo-5-fluorobenzoate
CID 112724264
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CID 59166567
(3-fluorophenyl)methyl 2-anilinobenzoate
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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 2-bromo-5-fluorobenzoate?
The IUPAC name of (3-fluorophenyl)methyl 2-bromo-5-fluorobenzoate (CID 55404850) is (3-fluorophenyl)methyl 2-bromo-5-fluorobenzoate.
What is the SMILES notation for (3-fluorophenyl)methyl 2-bromo-5-fluorobenzoate?
The canonical SMILES for (3-fluorophenyl)methyl 2-bromo-5-fluorobenzoate is O=C(OCc1cccc(F)c1)c1cc(F)ccc1Br.
What is the InChIKey of (3-fluorophenyl)methyl 2-bromo-5-fluorobenzoate?
The InChIKey is ODLKRZRTUPTRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2O2/c15-13-5-4-11(17)7-12(13)14(18)19-8-9-2-1-3-10(16)6-9/h1-7H,8H2.
What are the key properties of (3-fluorophenyl)methyl 2-bromo-5-fluorobenzoate?
(3-fluorophenyl)methyl 2-bromo-5-fluorobenzoate has a molecular weight of 327.12 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl 2-bromo-5-fluorobenzoate is sourced from PubChem (CID 55404850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).