(2R)-2-ethoxy-2-[4-(trifluoromethoxy)phenyl]acetic acid

C11H11F3O4 — CID 97052403

IUPAC(2R)-2-ethoxy-2-[4-(trifluoromethoxy)phenyl]acetic acid
SMILESCCO[C@@H](C(=O)O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H11F3O4/c1-2-17-9(10(15)16)7-3-5-8(6-4-7)18-11(12,13)14/h3-6,9H,2H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyGDGSRIGFZANXQH-SECBINFHSA-N
MW264.20 g/mol
LogP2.75
Rot. Bonds5

About (2R)-2-ethoxy-2-[4-(trifluoromethoxy)phenyl]acetic acid

(2R)-2-ethoxy-2-[4-(trifluoromethoxy)phenyl]acetic acid (PubChem CID 97052403) has the molecular formula C11H11F3O4 and a molecular weight of 264.20 g/mol. Its IUPAC name is (2R)-2-ethoxy-2-[4-(trifluoromethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name(2R)-2-ethoxy-2-[4-(trifluoromethoxy)phenyl]acetic acid
PubChem CID97052403
Molecular FormulaC11H11F3O4
Molecular Weight264.20 g/mol
Exact Mass264.06
IUPAC Name(2R)-2-ethoxy-2-[4-(trifluoromethoxy)phenyl]acetic acid
SMILESCCO[C@@H](C(=O)O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H11F3O4/c1-2-17-9(10(15)16)7-3-5-8(6-4-7)18-11(12,13)14/h3-6,9H,2H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyGDGSRIGFZANXQH-SECBINFHSA-N
XLogP2.75
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxybutan-2-yloxy)-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 103377943
2-ethoxy-2-(4-hydroxyphenyl)acetic acid
CID 70349017
ethyl (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]acetate
CID 93320084
2-acetamido-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 63703455
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 66912789
2-ethoxy-2-(4-fluorophenyl)acetic acid;4-fluorobenzaldehyde
CID 159275151
ethyl 3-hydroxy-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 62393974
2-(butan-2-ylamino)-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 61024530
ethyl (3R)-3-amino-2-fluoro-3-[4-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171242242
2-(4-methoxyphenyl)-2-propoxyacetic acid
CID 83223962
2-ethoxy-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 79566446
ethyl (3S)-3-amino-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanoate
CID 154815468

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-2-[4-(trifluoromethoxy)phenyl]acetic acid?
The IUPAC name of (2R)-2-ethoxy-2-[4-(trifluoromethoxy)phenyl]acetic acid (CID 97052403) is (2R)-2-ethoxy-2-[4-(trifluoromethoxy)phenyl]acetic acid.
What is the SMILES notation for (2R)-2-ethoxy-2-[4-(trifluoromethoxy)phenyl]acetic acid?
The canonical SMILES for (2R)-2-ethoxy-2-[4-(trifluoromethoxy)phenyl]acetic acid is CCO[C@@H](C(=O)O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (2R)-2-ethoxy-2-[4-(trifluoromethoxy)phenyl]acetic acid?
The InChIKey is GDGSRIGFZANXQH-SECBINFHSA-N. The full InChI is InChI=1S/C11H11F3O4/c1-2-17-9(10(15)16)7-3-5-8(6-4-7)18-11(12,13)14/h3-6,9H,2H2,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-ethoxy-2-[4-(trifluoromethoxy)phenyl]acetic acid?
(2R)-2-ethoxy-2-[4-(trifluoromethoxy)phenyl]acetic acid has a molecular weight of 264.20 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-2-[4-(trifluoromethoxy)phenyl]acetic acid is sourced from PubChem (CID 97052403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).