1'-[4-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one

C20H16F3NO3 — CID 90585914

IUPAC1'-[4-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)Oc2ccccc21
InChIInChI=1S/C20H16F3NO3/c21-20(22,23)14-7-5-13(6-8-14)18(26)24-10-9-19(12-24)11-16(25)15-3-1-2-4-17(15)27-19/h1-8H,9-12H2
InChIKeyZLFXLUAHUIZQDY-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.96
Rot. Bonds1

About 1'-[4-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one

1'-[4-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 90585914) has the molecular formula C20H16F3NO3 and a molecular weight of 375.35 g/mol. Its IUPAC name is 1'-[4-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name1'-[4-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID90585914
Molecular FormulaC20H16F3NO3
Molecular Weight375.35 g/mol
Exact Mass375.11
IUPAC Name1'-[4-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)Oc2ccccc21
InChIInChI=1S/C20H16F3NO3/c21-20(22,23)14-7-5-13(6-8-14)18(26)24-10-9-19(12-24)11-16(25)15-3-1-2-4-17(15)27-19/h1-8H,9-12H2
InChIKeyZLFXLUAHUIZQDY-UHFFFAOYSA-N
XLogP3.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585858
1'-[3-[4-(trifluoromethyl)phenyl]propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586180
1'-(4-thiophen-3-ylbenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586111
1'-[3-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260579
1'-(2,1,3-benzothiadiazole-5-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 71805919
1'-(4-propan-2-ylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734251
1'-[4-(trifluoromethyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618118
1'-[4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586212
1'-(3-methylbutanoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585824
1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260499
(2R)-1'-(5-phenyl-1,2-oxazole-3-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 97415034
1'-(2-cyclopentylacetyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585833

Frequently Asked Questions

What is the IUPAC name of 1'-[4-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of 1'-[4-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 90585914) is 1'-[4-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for 1'-[4-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for 1'-[4-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one is O=C1CC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)Oc2ccccc21.
What is the InChIKey of 1'-[4-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is ZLFXLUAHUIZQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO3/c21-20(22,23)14-7-5-13(6-8-14)18(26)24-10-9-19(12-24)11-16(25)15-3-1-2-4-17(15)27-19/h1-8H,9-12H2.
What are the key properties of 1'-[4-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
1'-[4-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 375.35 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[4-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 90585914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).