(2R)-2-(4-fluorophenyl)-2-hydroxyacetic acid;methyl 2-(4-fluorophenyl)-2-hydroxyacetate

C17H16F2O6 — CID 161223884

IUPAC(2R)-2-(4-fluorophenyl)-2-hydroxyacetic acid;methyl 2-(4-fluorophenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccc(F)cc1.O=C(O)[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C9H9FO3.C8H7FO3/c1-13-9(12)8(11)6-2-4-7(10)5-3-6;9-6-3-1-5(2-4-6)7(10)8(11)12/h2-5,8,11H,1H3;1-4,7,10H,(H,11,12)/t;7-/m.1/s1
InChIKeyUXWICPUSFIBSBM-HMZWWLAASA-N
MW354.31 g/mol
LogP1.98
Rot. Bonds4

About (2R)-2-(4-fluorophenyl)-2-hydroxyacetic acid;methyl 2-(4-fluorophenyl)-2-hydroxyacetate

(2R)-2-(4-fluorophenyl)-2-hydroxyacetic acid;methyl 2-(4-fluorophenyl)-2-hydroxyacetate (PubChem CID 161223884) has the molecular formula C17H16F2O6 and a molecular weight of 354.31 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-2-hydroxyacetic acid;methyl 2-(4-fluorophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-2-hydroxyacetic acid;methyl 2-(4-fluorophenyl)-2-hydroxyacetate
PubChem CID161223884
Molecular FormulaC17H16F2O6
Molecular Weight354.31 g/mol
Exact Mass354.09
IUPAC Name(2R)-2-(4-fluorophenyl)-2-hydroxyacetic acid;methyl 2-(4-fluorophenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccc(F)cc1.O=C(O)[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C9H9FO3.C8H7FO3/c1-13-9(12)8(11)6-2-4-7(10)5-3-6;9-6-3-1-5(2-4-6)7(10)8(11)12/h2-5,8,11H,1H3;1-4,7,10H,(H,11,12)/t;7-/m.1/s1
InChIKeyUXWICPUSFIBSBM-HMZWWLAASA-N
XLogP1.98
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetic acid;methyl 2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetate
CID 160817658
methyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 54430210
methyl 3-(4-fluorophenyl)-2,3-dihydroxypropanoate
CID 15056442
methyl (2R)-2-bromo-2-(4-fluorophenyl)acetate
CID 41166941
methyl 2-hydroxy-2-[4-(1-methoxyethyl)phenyl]acetate
CID 117321838
potassium trifluoro-[4-(1-hydroxy-2-methoxy-2-oxoethyl)phenyl]boranuide
CID 167730412
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
methyl (Z)-2-[(4-fluorophenyl)-hydroxymethyl]-3-iodoprop-2-enoate
CID 11232965
methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate
CID 129367520
ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 143238154
2-(4-fluorophenyl)-2-hydrazinylacetic acid
CID 82125359
methyl 2-bromo-3-(4-fluorophenyl)butanoate
CID 83665504

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-2-hydroxyacetic acid;methyl 2-(4-fluorophenyl)-2-hydroxyacetate?
The IUPAC name of (2R)-2-(4-fluorophenyl)-2-hydroxyacetic acid;methyl 2-(4-fluorophenyl)-2-hydroxyacetate (CID 161223884) is (2R)-2-(4-fluorophenyl)-2-hydroxyacetic acid;methyl 2-(4-fluorophenyl)-2-hydroxyacetate.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-2-hydroxyacetic acid;methyl 2-(4-fluorophenyl)-2-hydroxyacetate?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-2-hydroxyacetic acid;methyl 2-(4-fluorophenyl)-2-hydroxyacetate is COC(=O)C(O)c1ccc(F)cc1.O=C(O)[C@H](O)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-2-hydroxyacetic acid;methyl 2-(4-fluorophenyl)-2-hydroxyacetate?
The InChIKey is UXWICPUSFIBSBM-HMZWWLAASA-N. The full InChI is InChI=1S/C9H9FO3.C8H7FO3/c1-13-9(12)8(11)6-2-4-7(10)5-3-6;9-6-3-1-5(2-4-6)7(10)8(11)12/h2-5,8,11H,1H3;1-4,7,10H,(H,11,12)/t;7-/m.1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-2-hydroxyacetic acid;methyl 2-(4-fluorophenyl)-2-hydroxyacetate?
(2R)-2-(4-fluorophenyl)-2-hydroxyacetic acid;methyl 2-(4-fluorophenyl)-2-hydroxyacetate has a molecular weight of 354.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-2-hydroxyacetic acid;methyl 2-(4-fluorophenyl)-2-hydroxyacetate is sourced from PubChem (CID 161223884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).