spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone

C21H20F3NO2 — CID 44583353

IUPACspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C21H20F3NO2/c22-21(23,24)17-7-5-16(6-8-17)19(26)25-13-11-20(12-14-25)10-9-15-3-1-2-4-18(15)27-20/h1-8H,9-14H2
InChIKeyQYZZTCYPDDNZDI-UHFFFAOYSA-N
MW375.39 g/mol
LogP4.71
Rot. Bonds1

About spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone

spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 44583353) has the molecular formula C21H20F3NO2 and a molecular weight of 375.39 g/mol. Its IUPAC name is spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namespiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone
PubChem CID44583353
Molecular FormulaC21H20F3NO2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC Namespiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C21H20F3NO2/c22-21(23,24)17-7-5-16(6-8-17)19(26)25-13-11-20(12-14-25)10-9-15-3-1-2-4-18(15)27-20/h1-8H,9-14H2
InChIKeyQYZZTCYPDDNZDI-UHFFFAOYSA-N
XLogP4.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 44254503
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CID 2427316
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CID 10809678
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CID 11406708
CID 11406708
CID 11474838
CID 11474838
CID 23465639
CID 23465639
CID 24948319
CID 24948319
CID 44254057
CID 44254057
CID 44583354
CID 44583354
CID 2151914
CID 2151914
CID 2802386
CID 2802386

Frequently Asked Questions

What is the IUPAC name of spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone (CID 44583353) is spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCC2(CCc3ccccc3O2)CC1.
What is the InChIKey of spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is QYZZTCYPDDNZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO2/c22-21(23,24)17-7-5-16(6-8-17)19(26)25-13-11-20(12-14-25)10-9-15-3-1-2-4-18(15)27-20/h1-8H,9-14H2.
What are the key properties of spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone?
spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 375.39 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 44583353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).