2-acetamido-2-[4-(trifluoromethoxy)phenyl]acetic acid

C11H10F3NO4 — CID 63703455

IUPAC2-acetamido-2-[4-(trifluoromethoxy)phenyl]acetic acid
SMILESCC(=O)NC(C(=O)O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO4/c1-6(16)15-9(10(17)18)7-2-4-8(5-3-7)19-11(12,13)14/h2-5,9H,1H3,(H,15,16)(H,17,18)
InChIKeyVNCPRTZXLKCEDT-UHFFFAOYSA-N
MW277.20 g/mol
LogP1.85
Rot. Bonds4

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

2-acetamido-2-[4-(trifluoromethoxy)phenyl]acetic acid (PubChem CID 63703455) has the molecular formula C11H10F3NO4 and a molecular weight of 277.20 g/mol. Its IUPAC name is 2-acetamido-2-[4-(trifluoromethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-acetamido-2-[4-(trifluoromethoxy)phenyl]acetic acid
PubChem CID63703455
Molecular FormulaC11H10F3NO4
Molecular Weight277.20 g/mol
Exact Mass277.06
IUPAC Name2-acetamido-2-[4-(trifluoromethoxy)phenyl]acetic acid
SMILESCC(=O)NC(C(=O)O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO4/c1-6(16)15-9(10(17)18)7-2-4-8(5-3-7)19-11(12,13)14/h2-5,9H,1H3,(H,15,16)(H,17,18)
InChIKeyVNCPRTZXLKCEDT-UHFFFAOYSA-N
XLogP1.85
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 61024530
N-[3-hydroxy-1-[4-(trifluoromethoxy)phenyl]propyl]acetamide
CID 144950554
(2S)-2-acetamido-2-(4-aminophenyl)acetic acid
CID 14037276
(2R)-2-ethoxy-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 97052403
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 66912789
2-[acetyl(methyl)amino]-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 63701677
2-(3-hydroxybutan-2-yloxy)-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 103377943
(2R)-2-phenyl-2-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]acetic acid
CID 11327633
(2R)-2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid
CID 29140347
tert-butyl N-[2-oxo-1-[4-(trifluoromethoxy)phenyl]butyl]carbamate
CID 131742365
methyl 2-amino-2-[4-(trifluoromethoxy)phenyl]acetate;hydrochloride
CID 68701714
(2S)-2-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]propanoic acid
CID 119238043

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-[4-(trifluoromethoxy)phenyl]acetic acid?
The IUPAC name of 2-acetamido-2-[4-(trifluoromethoxy)phenyl]acetic acid (CID 63703455) is 2-acetamido-2-[4-(trifluoromethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-acetamido-2-[4-(trifluoromethoxy)phenyl]acetic acid?
The canonical SMILES for 2-acetamido-2-[4-(trifluoromethoxy)phenyl]acetic acid is CC(=O)NC(C(=O)O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-acetamido-2-[4-(trifluoromethoxy)phenyl]acetic acid?
The InChIKey is VNCPRTZXLKCEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO4/c1-6(16)15-9(10(17)18)7-2-4-8(5-3-7)19-11(12,13)14/h2-5,9H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-acetamido-2-[4-(trifluoromethoxy)phenyl]acetic acid?
2-acetamido-2-[4-(trifluoromethoxy)phenyl]acetic acid has a molecular weight of 277.20 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-[4-(trifluoromethoxy)phenyl]acetic acid is sourced from PubChem (CID 63703455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).