2-(2-bromo-6-fluorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid

C14H12BrFO3 — CID 117048527

IUPAC2-(2-bromo-6-fluorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid
SMILESCC(Cc1ccco1)(C(=O)O)c1c(F)cccc1Br
InChIInChI=1S/C14H12BrFO3/c1-14(13(17)18,8-9-4-3-7-19-9)12-10(15)5-2-6-11(12)16/h2-7H,8H2,1H3,(H,17,18)
InChIKeyUKPPWBBDZBJOCE-UHFFFAOYSA-N
MW327.15 g/mol
LogP3.77
Rot. Bonds4

About 2-(2-bromo-6-fluorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid

2-(2-bromo-6-fluorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid (PubChem CID 117048527) has the molecular formula C14H12BrFO3 and a molecular weight of 327.15 g/mol. Its IUPAC name is 2-(2-bromo-6-fluorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2-bromo-6-fluorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid
PubChem CID117048527
Molecular FormulaC14H12BrFO3
Molecular Weight327.15 g/mol
Exact Mass326.00
IUPAC Name2-(2-bromo-6-fluorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid
SMILESCC(Cc1ccco1)(C(=O)O)c1c(F)cccc1Br
InChIInChI=1S/C14H12BrFO3/c1-14(13(17)18,8-9-4-3-7-19-9)12-10(15)5-2-6-11(12)16/h2-7H,8H2,1H3,(H,17,18)
InChIKeyUKPPWBBDZBJOCE-UHFFFAOYSA-N
XLogP3.77
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.15
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3-(furan-2-yl)-2-methylpropanoic acid
CID 67609490
3-(furan-2-yl)-2,2-dimethylpropanoic acid
CID 62997938
2-(2,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid
CID 117048521
2-(3,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid
CID 117048514
2-(3-bromo-2-fluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine
CID 117048660
2-(furan-2-ylmethyl)-2-methylbutanoic acid
CID 62998305
2-(3,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoyl chloride
CID 117048691
2,2-bis(furan-2-ylmethyl)pentanoic acid
CID 174666609
ethyl 2-(2,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoate
CID 117048556
2-fluoro-6-[furan-2-ylmethyl(methyl)amino]benzoic acid
CID 79522283
3-(furan-2-yl)-2-methyl-2-(2,3,4,5,6-pentafluorophenyl)propan-1-amine
CID 117048652
2-bromo-6-(furan-2-ylmethylsulfanyl)benzoic acid
CID 114888767

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-fluorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(2-bromo-6-fluorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid (CID 117048527) is 2-(2-bromo-6-fluorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2-bromo-6-fluorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(2-bromo-6-fluorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid is CC(Cc1ccco1)(C(=O)O)c1c(F)cccc1Br.
What is the InChIKey of 2-(2-bromo-6-fluorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid?
The InChIKey is UKPPWBBDZBJOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFO3/c1-14(13(17)18,8-9-4-3-7-19-9)12-10(15)5-2-6-11(12)16/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 2-(2-bromo-6-fluorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid?
2-(2-bromo-6-fluorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid has a molecular weight of 327.15 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-fluorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 117048527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).