2-amino-2-[3-bromo-4-(fluoromethyl)phenyl]acetic acid

C9H9BrFNO2 — CID 84710656

IUPAC2-amino-2-[3-bromo-4-(fluoromethyl)phenyl]acetic acid
SMILESNC(C(=O)O)c1ccc(CF)c(Br)c1
InChIInChI=1S/C9H9BrFNO2/c10-7-3-5(8(12)9(13)14)1-2-6(7)4-11/h1-3,8H,4,12H2,(H,13,14)
InChIKeyKFLXSAZDAXZNNN-UHFFFAOYSA-N
MW262.08 g/mol
LogP2.00
Rot. Bonds3

About 2-amino-2-[3-bromo-4-(fluoromethyl)phenyl]acetic acid

2-amino-2-[3-bromo-4-(fluoromethyl)phenyl]acetic acid (PubChem CID 84710656) has the molecular formula C9H9BrFNO2 and a molecular weight of 262.08 g/mol. Its IUPAC name is 2-amino-2-[3-bromo-4-(fluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[3-bromo-4-(fluoromethyl)phenyl]acetic acid
PubChem CID84710656
Molecular FormulaC9H9BrFNO2
Molecular Weight262.08 g/mol
Exact Mass260.98
IUPAC Name2-amino-2-[3-bromo-4-(fluoromethyl)phenyl]acetic acid
SMILESNC(C(=O)O)c1ccc(CF)c(Br)c1
InChIInChI=1S/C9H9BrFNO2/c10-7-3-5(8(12)9(13)14)1-2-6(7)4-11/h1-3,8H,4,12H2,(H,13,14)
InChIKeyKFLXSAZDAXZNNN-UHFFFAOYSA-N
XLogP2.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.08
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-(4-bromo-3-methylphenyl)acetic acid
CID 95731754
2-[3-bromo-4-(fluoromethyl)phenyl]propan-1-ol
CID 117369450
2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)acetic acid
CID 117454067
2-amino-2-(3,4-difluorophenyl)acetic acid;hydrochloride
CID 24730258
(2R)-2-amino-2-(3-bromophenyl)acetic acid
CID 7033009
(2S)-2-amino-2-(3,4-dihydroxyphenyl)acetic acid
CID 5310986
2-amino-2-[4-(aminomethyl)phenyl]acetic acid
CID 21252767
2-amino-2-phenylacetic acid;benzene
CID 18446848
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
(2S)-2-amino-2-[4-amino-3-(trifluoromethyl)phenyl]acetic acid
CID 66512963
3-[3-bromo-4-(fluoromethyl)phenyl]propanoic acid
CID 84710394
2-amino-2-[3-bromo-4-(1-methylazetidin-3-yl)phenyl]acetic acid
CID 117481892

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-bromo-4-(fluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-amino-2-[3-bromo-4-(fluoromethyl)phenyl]acetic acid (CID 84710656) is 2-amino-2-[3-bromo-4-(fluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[3-bromo-4-(fluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-amino-2-[3-bromo-4-(fluoromethyl)phenyl]acetic acid is NC(C(=O)O)c1ccc(CF)c(Br)c1.
What is the InChIKey of 2-amino-2-[3-bromo-4-(fluoromethyl)phenyl]acetic acid?
The InChIKey is KFLXSAZDAXZNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO2/c10-7-3-5(8(12)9(13)14)1-2-6(7)4-11/h1-3,8H,4,12H2,(H,13,14).
What are the key properties of 2-amino-2-[3-bromo-4-(fluoromethyl)phenyl]acetic acid?
2-amino-2-[3-bromo-4-(fluoromethyl)phenyl]acetic acid has a molecular weight of 262.08 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-bromo-4-(fluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 84710656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).