3-amino-2-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid

C10H11F2NO3 — CID 84694286

IUPAC3-amino-2-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid
SMILESNCC(C(=O)O)c1ccc(C(F)F)cc1O
InChIInChI=1S/C10H11F2NO3/c11-9(12)5-1-2-6(8(14)3-5)7(4-13)10(15)16/h1-3,7,9,14H,4,13H2,(H,15,16)
InChIKeyCFTUSHHGPJETIL-UHFFFAOYSA-N
MW231.20 g/mol
LogP1.46
Rot. Bonds4

About 3-amino-2-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid

3-amino-2-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid (PubChem CID 84694286) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is 3-amino-2-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid.

Molecular Properties

Compound Name3-amino-2-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid
PubChem CID84694286
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name3-amino-2-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid
SMILESNCC(C(=O)O)c1ccc(C(F)F)cc1O
InChIInChI=1S/C10H11F2NO3/c11-9(12)5-1-2-6(8(14)3-5)7(4-13)10(15)16/h1-3,7,9,14H,4,13H2,(H,15,16)
InChIKeyCFTUSHHGPJETIL-UHFFFAOYSA-N
XLogP1.46
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid
CID 84691069
2-[4-(difluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetic acid
CID 117310466
3-amino-2-(5-fluoro-2-hydroxyphenyl)propanoic acid
CID 82607416
2-(1-aminoethyl)-5-(difluoromethyl)phenol
CID 84660907
2-amino-2-[5-(difluoromethyl)-2-hydroxyphenyl]acetic acid
CID 84682427
5-(difluoromethyl)-2-(1-hydroxypropan-2-yl)phenol
CID 117290732
1-chloro-1-[4-(difluoromethyl)-2-hydroxyphenyl]propan-2-one
CID 131394353
3-cyclopropyl-3-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid
CID 117393605
3-amino-2-(2,4,5-trifluorophenyl)propanoic acid
CID 84684316
3-amino-2-(5-bromo-2-propan-2-ylphenyl)propanoic acid
CID 84813600
2-amino-3-[5-(difluoromethyl)-2-hydroxyphenyl]propanoic acid
CID 84694277
3-amino-2-[3-(difluoromethyl)-2-methoxyphenyl]propanoic acid
CID 117364253

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid?
The IUPAC name of 3-amino-2-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid (CID 84694286) is 3-amino-2-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid.
What is the SMILES notation for 3-amino-2-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid?
The canonical SMILES for 3-amino-2-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid is NCC(C(=O)O)c1ccc(C(F)F)cc1O.
What is the InChIKey of 3-amino-2-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid?
The InChIKey is CFTUSHHGPJETIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c11-9(12)5-1-2-6(8(14)3-5)7(4-13)10(15)16/h1-3,7,9,14H,4,13H2,(H,15,16).
What are the key properties of 3-amino-2-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid?
3-amino-2-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid has a molecular weight of 231.20 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid is sourced from PubChem (CID 84694286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).