2-(3-bromophenyl)-2,2-difluoroacetic acid

C8H5BrF2O2 — CID 28740330

IUPAC2-(3-bromophenyl)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)c1cccc(Br)c1
InChIInChI=1S/C8H5BrF2O2/c9-6-3-1-2-5(4-6)8(10,11)7(12)13/h1-4H,(H,12,13)
InChIKeyCYIBFFJUPHCMOO-UHFFFAOYSA-N
MW251.03 g/mol
LogP2.63
Rot. Bonds2

About 2-(3-bromophenyl)-2,2-difluoroacetic acid

2-(3-bromophenyl)-2,2-difluoroacetic acid (PubChem CID 28740330) has the molecular formula C8H5BrF2O2 and a molecular weight of 251.03 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(3-bromophenyl)-2,2-difluoroacetic acid
PubChem CID28740330
Molecular FormulaC8H5BrF2O2
Molecular Weight251.03 g/mol
Exact Mass249.94
IUPAC Name2-(3-bromophenyl)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)c1cccc(Br)c1
InChIInChI=1S/C8H5BrF2O2/c9-6-3-1-2-5(4-6)8(10,11)7(12)13/h1-4H,(H,12,13)
InChIKeyCYIBFFJUPHCMOO-UHFFFAOYSA-N
XLogP2.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.03
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

azane;1-bromo-3-(trifluoromethyl)benzene;carbonic acid
CID 175115422
2-(3-tert-butylphenyl)-2,2-difluoroacetic acid
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2,2-difluoro-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]acetic acid
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2,2-difluoro-2-phenylacetic acid;silver
CID 87172236
2,2-difluoro-2-[3-(trifluoromethoxy)phenyl]acetic acid
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3-amino-3-(3-bromophenyl)butanoic acid;2,2,2-trifluoroacetic acid
CID 129071634
methyl (2S)-2-(3-bromophenyl)-2,3,3,3-tetrafluoropropanoate
CID 125050386
2,2-difluoro-2-(3-propan-2-ylsulfanylphenyl)acetic acid
CID 105425708
2,2-difluoro-2-[3-(2-methylpropyl)phenyl]acetic acid
CID 116545513
2-(3-chlorophenyl)-2,2-difluoroacetic acid;2-(3,5-difluorophenyl)-2,2-difluoroacetic acid
CID 118541740
2-(3-cyclobutylphenyl)-2,2-difluoroacetic acid
CID 114605676
2-(3-bromophenyl)-3-methoxy-2-(methoxymethyl)propanoic acid
CID 167505619

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(3-bromophenyl)-2,2-difluoroacetic acid (CID 28740330) is 2-(3-bromophenyl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(3-bromophenyl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(3-bromophenyl)-2,2-difluoroacetic acid is O=C(O)C(F)(F)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2,2-difluoroacetic acid?
The InChIKey is CYIBFFJUPHCMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2O2/c9-6-3-1-2-5(4-6)8(10,11)7(12)13/h1-4H,(H,12,13).
What are the key properties of 2-(3-bromophenyl)-2,2-difluoroacetic acid?
2-(3-bromophenyl)-2,2-difluoroacetic acid has a molecular weight of 251.03 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2,2-difluoroacetic acid is sourced from PubChem (CID 28740330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).