2-amino-2-[(3-chloro-4-hydroxyphenyl)methyl]-3-fluoropropanoic acid

C10H11ClFNO3 — CID 146628174

IUPAC2-amino-2-[(3-chloro-4-hydroxyphenyl)methyl]-3-fluoropropanoic acid
SMILESNC(CF)(Cc1ccc(O)c(Cl)c1)C(=O)O
InChIInChI=1S/C10H11ClFNO3/c11-7-3-6(1-2-8(7)14)4-10(13,5-12)9(15)16/h1-3,14H,4-5,13H2,(H,15,16)
InChIKeyORJMGZZBAJRDHE-UHFFFAOYSA-N
MW247.65 g/mol
LogP1.34
Rot. Bonds4

About 2-amino-2-[(3-chloro-4-hydroxyphenyl)methyl]-3-fluoropropanoic acid

2-amino-2-[(3-chloro-4-hydroxyphenyl)methyl]-3-fluoropropanoic acid (PubChem CID 146628174) has the molecular formula C10H11ClFNO3 and a molecular weight of 247.65 g/mol. Its IUPAC name is 2-amino-2-[(3-chloro-4-hydroxyphenyl)methyl]-3-fluoropropanoic acid.

Molecular Properties

Compound Name2-amino-2-[(3-chloro-4-hydroxyphenyl)methyl]-3-fluoropropanoic acid
PubChem CID146628174
Molecular FormulaC10H11ClFNO3
Molecular Weight247.65 g/mol
Exact Mass247.04
IUPAC Name2-amino-2-[(3-chloro-4-hydroxyphenyl)methyl]-3-fluoropropanoic acid
SMILESNC(CF)(Cc1ccc(O)c(Cl)c1)C(=O)O
InChIInChI=1S/C10H11ClFNO3/c11-7-3-6(1-2-8(7)14)4-10(13,5-12)9(15)16/h1-3,14H,4-5,13H2,(H,15,16)
InChIKeyORJMGZZBAJRDHE-UHFFFAOYSA-N
XLogP1.34
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.65
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[(3-chloro-4-hydroxyphenyl)methyl]-3-fluoropropanoic acid?
The IUPAC name of 2-amino-2-[(3-chloro-4-hydroxyphenyl)methyl]-3-fluoropropanoic acid (CID 146628174) is 2-amino-2-[(3-chloro-4-hydroxyphenyl)methyl]-3-fluoropropanoic acid.
What is the SMILES notation for 2-amino-2-[(3-chloro-4-hydroxyphenyl)methyl]-3-fluoropropanoic acid?
The canonical SMILES for 2-amino-2-[(3-chloro-4-hydroxyphenyl)methyl]-3-fluoropropanoic acid is NC(CF)(Cc1ccc(O)c(Cl)c1)C(=O)O.
What is the InChIKey of 2-amino-2-[(3-chloro-4-hydroxyphenyl)methyl]-3-fluoropropanoic acid?
The InChIKey is ORJMGZZBAJRDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO3/c11-7-3-6(1-2-8(7)14)4-10(13,5-12)9(15)16/h1-3,14H,4-5,13H2,(H,15,16).
What are the key properties of 2-amino-2-[(3-chloro-4-hydroxyphenyl)methyl]-3-fluoropropanoic acid?
2-amino-2-[(3-chloro-4-hydroxyphenyl)methyl]-3-fluoropropanoic acid has a molecular weight of 247.65 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[(3-chloro-4-hydroxyphenyl)methyl]-3-fluoropropanoic acid is sourced from PubChem (CID 146628174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).