bromo 2-(3-fluorophenyl)propanoate

C9H8BrFO2 — CID 174735540

IUPACbromo 2-(3-fluorophenyl)propanoate
SMILESCC(C(=O)OBr)c1cccc(F)c1
InChIInChI=1S/C9H8BrFO2/c1-6(9(12)13-10)7-3-2-4-8(11)5-7/h2-6H,1H3
InChIKeyURVKHUOXTBXXGV-UHFFFAOYSA-N
MW247.06 g/mol
LogP2.78
Rot. Bonds2

About bromo 2-(3-fluorophenyl)propanoate

bromo 2-(3-fluorophenyl)propanoate (PubChem CID 174735540) has the molecular formula C9H8BrFO2 and a molecular weight of 247.06 g/mol. Its IUPAC name is bromo 2-(3-fluorophenyl)propanoate.

Molecular Properties

Compound Namebromo 2-(3-fluorophenyl)propanoate
PubChem CID174735540
Molecular FormulaC9H8BrFO2
Molecular Weight247.06 g/mol
Exact Mass245.97
IUPAC Namebromo 2-(3-fluorophenyl)propanoate
SMILESCC(C(=O)OBr)c1cccc(F)c1
InChIInChI=1S/C9H8BrFO2/c1-6(9(12)13-10)7-3-2-4-8(11)5-7/h2-6H,1H3
InChIKeyURVKHUOXTBXXGV-UHFFFAOYSA-N
XLogP2.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.06
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)ethyl carbamate
CID 174605012
1-amino-1-(3-fluorophenyl)propan-2-one
CID 55295099
(3S)-3-(3-fluorophenyl)butan-2-imine
CID 155426408
[bromo-(3-fluorophenyl)methyl] acetate
CID 174595381
methyl 2-aminooxy-2-(3-fluorophenyl)acetate
CID 105451939
methyl 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]butanoate
CID 113292653
fluoro 2-fluoro-2-(3-fluorophenyl)acetate
CID 174649887
2-(3-fluorophenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119500340
[2,2,2-trifluoro-1-(3-fluorophenyl)ethyl] 2-methylpropanoate
CID 121016179
(4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)propanoate
CID 106592457
methyl 2-bromo-3-[1-(3-fluorophenyl)ethylamino]propanoate
CID 103245889
1-(3-fluorophenyl)ethanesulfonamide
CID 62085639

Frequently Asked Questions

What is the IUPAC name of bromo 2-(3-fluorophenyl)propanoate?
The IUPAC name of bromo 2-(3-fluorophenyl)propanoate (CID 174735540) is bromo 2-(3-fluorophenyl)propanoate.
What is the SMILES notation for bromo 2-(3-fluorophenyl)propanoate?
The canonical SMILES for bromo 2-(3-fluorophenyl)propanoate is CC(C(=O)OBr)c1cccc(F)c1.
What is the InChIKey of bromo 2-(3-fluorophenyl)propanoate?
The InChIKey is URVKHUOXTBXXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO2/c1-6(9(12)13-10)7-3-2-4-8(11)5-7/h2-6H,1H3.
What are the key properties of bromo 2-(3-fluorophenyl)propanoate?
bromo 2-(3-fluorophenyl)propanoate has a molecular weight of 247.06 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo 2-(3-fluorophenyl)propanoate is sourced from PubChem (CID 174735540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).