2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid

C13H16F3NO2 — CID 54908281

IUPAC2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
SMILESCCC(C)NC(C(=O)O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-3-8(2)17-11(12(18)19)9-6-4-5-7-10(9)13(14,15)16/h4-8,11,17H,3H2,1-2H3,(H,18,19)
InChIKeyZONYVQDOYASJGN-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.22
Rot. Bonds5

About 2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid

2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid (PubChem CID 54908281) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
PubChem CID54908281
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
SMILESCCC(C)NC(C(=O)O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-3-8(2)17-11(12(18)19)9-6-4-5-7-10(9)13(14,15)16/h4-8,11,17H,3H2,1-2H3,(H,18,19)
InChIKeyZONYVQDOYASJGN-UHFFFAOYSA-N
XLogP3.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-2-(2-ethylphenyl)acetic acid
CID 62414694
(2R)-2-(methylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 93280066
2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol
CID 61049420
2-[2-(trifluoromethyl)phenyl]butanoic acid
CID 62801818
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 24903485
2-(cyclopropylmethylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 54895164
1-[2-(trifluoromethyl)phenyl]ethyl hydrogen carbonate
CID 67316617
2-(butan-2-ylamino)-2-(4-chloro-2-fluorophenyl)acetic acid
CID 114843756
ethyl 2-(2-methylpropylamino)-2-[2-(trifluoromethyl)phenyl]acetate
CID 61001442
N-butan-2-yl-2,2-difluoro-2-phenylacetamide
CID 164554338
2-(butan-2-ylamino)-2-(2,5-dimethylphenyl)acetic acid
CID 54977951
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide
CID 16771420

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid (CID 54908281) is 2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid is CCC(C)NC(C(=O)O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is ZONYVQDOYASJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-3-8(2)17-11(12(18)19)9-6-4-5-7-10(9)13(14,15)16/h4-8,11,17H,3H2,1-2H3,(H,18,19).
What are the key properties of 2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid?
2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 275.27 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 54908281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).