[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] cyclopropanecarboxylate

C14H14F3NO3 — CID 2511069

IUPAC[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] cyclopropanecarboxylate
SMILESC[C@@H](OC(=O)C1CC1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO3/c1-8(21-13(20)9-2-3-9)12(19)18-11-6-4-10(5-7-11)14(15,16)17/h4-9H,2-3H2,1H3,(H,18,19)/t8-/m1/s1
InChIKeyTURJHIAQPMHXAV-MRVPVSSYSA-N
MW301.26 g/mol
LogP2.99
Rot. Bonds4

About [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] cyclopropanecarboxylate

[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] cyclopropanecarboxylate (PubChem CID 2511069) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] cyclopropanecarboxylate
PubChem CID2511069
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] cyclopropanecarboxylate
SMILESC[C@@H](OC(=O)C1CC1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO3/c1-8(21-13(20)9-2-3-9)12(19)18-11-6-4-10(5-7-11)14(15,16)17/h4-9H,2-3H2,1H3,(H,18,19)/t8-/m1/s1
InChIKeyTURJHIAQPMHXAV-MRVPVSSYSA-N
XLogP2.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 55320940
[(2R)-1-anilino-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 2511050
[(2S)-1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 2358382
[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] cyclopentanecarboxylate
CID 42900734
[1-(4-fluoroanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 42900728
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 7717348
[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-cyclopentylacetate
CID 7722404
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate
CID 7838301
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717556
[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] cyclopropanecarboxylate
CID 7863711
[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2,3-dihydro-1-benzothiophene-2-carboxylate
CID 55487733
[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 3,3-dimethylbutanoate
CID 7950830

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] cyclopropanecarboxylate?
The IUPAC name of [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] cyclopropanecarboxylate (CID 2511069) is [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] cyclopropanecarboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] cyclopropanecarboxylate?
The canonical SMILES for [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] cyclopropanecarboxylate is C[C@@H](OC(=O)C1CC1)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] cyclopropanecarboxylate?
The InChIKey is TURJHIAQPMHXAV-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H14F3NO3/c1-8(21-13(20)9-2-3-9)12(19)18-11-6-4-10(5-7-11)14(15,16)17/h4-9H,2-3H2,1H3,(H,18,19)/t8-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] cyclopropanecarboxylate?
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] cyclopropanecarboxylate has a molecular weight of 301.26 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] cyclopropanecarboxylate is sourced from PubChem (CID 2511069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).