4-amino-4-[3-(fluoromethyl)phenyl]butanoic acid

C11H14FNO2 — CID 117301395

IUPAC4-amino-4-[3-(fluoromethyl)phenyl]butanoic acid
SMILESNC(CCC(=O)O)c1cccc(CF)c1
InChIInChI=1S/C11H14FNO2/c12-7-8-2-1-3-9(6-8)10(13)4-5-11(14)15/h1-3,6,10H,4-5,7,13H2,(H,14,15)
InChIKeyWOYHEJDQSHDZJV-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.02
Rot. Bonds5

About 4-amino-4-[3-(fluoromethyl)phenyl]butanoic acid

4-amino-4-[3-(fluoromethyl)phenyl]butanoic acid (PubChem CID 117301395) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 4-amino-4-[3-(fluoromethyl)phenyl]butanoic acid.

Molecular Properties

Compound Name4-amino-4-[3-(fluoromethyl)phenyl]butanoic acid
PubChem CID117301395
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name4-amino-4-[3-(fluoromethyl)phenyl]butanoic acid
SMILESNC(CCC(=O)O)c1cccc(CF)c1
InChIInChI=1S/C11H14FNO2/c12-7-8-2-1-3-9(6-8)10(13)4-5-11(14)15/h1-3,6,10H,4-5,7,13H2,(H,14,15)
InChIKeyWOYHEJDQSHDZJV-UHFFFAOYSA-N
XLogP2.02
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-[3-(fluoromethyl)phenyl]butanoic acid?
The IUPAC name of 4-amino-4-[3-(fluoromethyl)phenyl]butanoic acid (CID 117301395) is 4-amino-4-[3-(fluoromethyl)phenyl]butanoic acid.
What is the SMILES notation for 4-amino-4-[3-(fluoromethyl)phenyl]butanoic acid?
The canonical SMILES for 4-amino-4-[3-(fluoromethyl)phenyl]butanoic acid is NC(CCC(=O)O)c1cccc(CF)c1.
What is the InChIKey of 4-amino-4-[3-(fluoromethyl)phenyl]butanoic acid?
The InChIKey is WOYHEJDQSHDZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c12-7-8-2-1-3-9(6-8)10(13)4-5-11(14)15/h1-3,6,10H,4-5,7,13H2,(H,14,15).
What are the key properties of 4-amino-4-[3-(fluoromethyl)phenyl]butanoic acid?
4-amino-4-[3-(fluoromethyl)phenyl]butanoic acid has a molecular weight of 211.24 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-[3-(fluoromethyl)phenyl]butanoic acid is sourced from PubChem (CID 117301395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).