2-amino-2-[4-(2,2-difluoroethoxy)phenyl]acetic acid

C10H11F2NO3 — CID 84794175

IUPAC2-amino-2-[4-(2,2-difluoroethoxy)phenyl]acetic acid
SMILESNC(C(=O)O)c1ccc(OCC(F)F)cc1
InChIInChI=1S/C10H11F2NO3/c11-8(12)5-16-7-3-1-6(2-4-7)9(13)10(14)15/h1-4,8-9H,5,13H2,(H,14,15)
InChIKeyPSZSOOOUJSNJBM-UHFFFAOYSA-N
MW231.20 g/mol
LogP1.41
Rot. Bonds5

About 2-amino-2-[4-(2,2-difluoroethoxy)phenyl]acetic acid

2-amino-2-[4-(2,2-difluoroethoxy)phenyl]acetic acid (PubChem CID 84794175) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is 2-amino-2-[4-(2,2-difluoroethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[4-(2,2-difluoroethoxy)phenyl]acetic acid
PubChem CID84794175
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name2-amino-2-[4-(2,2-difluoroethoxy)phenyl]acetic acid
SMILESNC(C(=O)O)c1ccc(OCC(F)F)cc1
InChIInChI=1S/C10H11F2NO3/c11-8(12)5-16-7-3-1-6(2-4-7)9(13)10(14)15/h1-4,8-9H,5,13H2,(H,14,15)
InChIKeyPSZSOOOUJSNJBM-UHFFFAOYSA-N
XLogP1.41
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride
CID 162344172
2-[4-(2,2-difluoroethoxy)phenyl]-3-methylbutanoic acid
CID 57255635
2-amino-2-[4-(2-methoxyethoxy)phenyl]acetic acid
CID 77128718
(Z)-5-[4-[amino(carboxy)methyl]phenoxy]-2-hydroxypent-2-enoic acid
CID 66513140
2-amino-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]acetic acid
CID 151837397
2-amino-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetic acid
CID 77128830
2-amino-3-(4-bromophenoxy)propanoic acid
CID 65443957
3-amino-1-[4-(2,2-difluoroethoxy)phenyl]propan-1-one
CID 84792637
(2R)-2-amino-N-[4-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride
CID 119338172
2-[3-(2,2-difluoroethoxy)phenyl]propanedioic acid
CID 151482458
chloro 2-[4-(2,2-difluoroethoxy)phenyl]hexanoate
CID 87396100
2-amino-2-[4-(aminomethyl)phenyl]acetic acid
CID 21252767

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(2,2-difluoroethoxy)phenyl]acetic acid?
The IUPAC name of 2-amino-2-[4-(2,2-difluoroethoxy)phenyl]acetic acid (CID 84794175) is 2-amino-2-[4-(2,2-difluoroethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[4-(2,2-difluoroethoxy)phenyl]acetic acid?
The canonical SMILES for 2-amino-2-[4-(2,2-difluoroethoxy)phenyl]acetic acid is NC(C(=O)O)c1ccc(OCC(F)F)cc1.
What is the InChIKey of 2-amino-2-[4-(2,2-difluoroethoxy)phenyl]acetic acid?
The InChIKey is PSZSOOOUJSNJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c11-8(12)5-16-7-3-1-6(2-4-7)9(13)10(14)15/h1-4,8-9H,5,13H2,(H,14,15).
What are the key properties of 2-amino-2-[4-(2,2-difluoroethoxy)phenyl]acetic acid?
2-amino-2-[4-(2,2-difluoroethoxy)phenyl]acetic acid has a molecular weight of 231.20 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(2,2-difluoroethoxy)phenyl]acetic acid is sourced from PubChem (CID 84794175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).