2-chloro-2-[3-(difluoromethoxy)phenyl]-3-hydroxypropanoic acid

C10H9ClF2O4 — CID 150337614

IUPAC2-chloro-2-[3-(difluoromethoxy)phenyl]-3-hydroxypropanoic acid
SMILESO=C(O)C(Cl)(CO)c1cccc(OC(F)F)c1
InChIInChI=1S/C10H9ClF2O4/c11-10(5-14,8(15)16)6-2-1-3-7(4-6)17-9(12)13/h1-4,9,14H,5H2,(H,15,16)
InChIKeyGQZZUPORKKXIMR-UHFFFAOYSA-N
MW266.63 g/mol
LogP1.80
Rot. Bonds5

About 2-chloro-2-[3-(difluoromethoxy)phenyl]-3-hydroxypropanoic acid

2-chloro-2-[3-(difluoromethoxy)phenyl]-3-hydroxypropanoic acid (PubChem CID 150337614) has the molecular formula C10H9ClF2O4 and a molecular weight of 266.63 g/mol. Its IUPAC name is 2-chloro-2-[3-(difluoromethoxy)phenyl]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-chloro-2-[3-(difluoromethoxy)phenyl]-3-hydroxypropanoic acid
PubChem CID150337614
Molecular FormulaC10H9ClF2O4
Molecular Weight266.63 g/mol
Exact Mass266.02
IUPAC Name2-chloro-2-[3-(difluoromethoxy)phenyl]-3-hydroxypropanoic acid
SMILESO=C(O)C(Cl)(CO)c1cccc(OC(F)F)c1
InChIInChI=1S/C10H9ClF2O4/c11-10(5-14,8(15)16)6-2-1-3-7(4-6)17-9(12)13/h1-4,9,14H,5H2,(H,15,16)
InChIKeyGQZZUPORKKXIMR-UHFFFAOYSA-N
XLogP1.80
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.63
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 13405100
2-[3-(difluoromethoxy)phenyl]-2-(propylamino)propanoic acid
CID 43754107
1-amino-2-[3-(difluoromethoxy)phenyl]propan-2-ol
CID 107105450
2-[3-(difluoromethoxy)phenyl]-2-[2-(dimethylamino)ethylamino]propanoic acid
CID 61001276
[3-(difluoromethoxy)phenyl]methanol
CID 2736994
3-(difluoromethoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
CID 103602179
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
3-[3-(difluoromethoxy)phenyl]-3-(propylamino)butan-1-ol
CID 65234913
3-[3-(difluoromethoxy)anilino]-2,2-dimethylpropan-1-ol
CID 81412020
(2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 170914332
2-bromo-2-[3-(difluoromethoxy)phenyl]acetic acid
CID 129188057
2,2-difluoro-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 62916357

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-[3-(difluoromethoxy)phenyl]-3-hydroxypropanoic acid?
The IUPAC name of 2-chloro-2-[3-(difluoromethoxy)phenyl]-3-hydroxypropanoic acid (CID 150337614) is 2-chloro-2-[3-(difluoromethoxy)phenyl]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-chloro-2-[3-(difluoromethoxy)phenyl]-3-hydroxypropanoic acid?
The canonical SMILES for 2-chloro-2-[3-(difluoromethoxy)phenyl]-3-hydroxypropanoic acid is O=C(O)C(Cl)(CO)c1cccc(OC(F)F)c1.
What is the InChIKey of 2-chloro-2-[3-(difluoromethoxy)phenyl]-3-hydroxypropanoic acid?
The InChIKey is GQZZUPORKKXIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O4/c11-10(5-14,8(15)16)6-2-1-3-7(4-6)17-9(12)13/h1-4,9,14H,5H2,(H,15,16).
What are the key properties of 2-chloro-2-[3-(difluoromethoxy)phenyl]-3-hydroxypropanoic acid?
2-chloro-2-[3-(difluoromethoxy)phenyl]-3-hydroxypropanoic acid has a molecular weight of 266.63 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-[3-(difluoromethoxy)phenyl]-3-hydroxypropanoic acid is sourced from PubChem (CID 150337614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).