1'-benzyl-8-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C21H20F3NO2 — CID 100761289

IUPAC1'-benzyl-8-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(Cc3ccccc3)CC2)Oc2c1cccc2C(F)(F)F
InChIInChI=1S/C21H20F3NO2/c22-21(23,24)17-8-4-7-16-18(26)13-20(27-19(16)17)9-11-25(12-10-20)14-15-5-2-1-3-6-15/h1-8H,9-14H2
InChIKeyFSQIYRYBDUVDRJ-UHFFFAOYSA-N
MW375.39 g/mol
LogP4.71
Rot. Bonds2

About 1'-benzyl-8-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one

1'-benzyl-8-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 100761289) has the molecular formula C21H20F3NO2 and a molecular weight of 375.39 g/mol. Its IUPAC name is 1'-benzyl-8-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-benzyl-8-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID100761289
Molecular FormulaC21H20F3NO2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC Name1'-benzyl-8-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(Cc3ccccc3)CC2)Oc2c1cccc2C(F)(F)F
InChIInChI=1S/C21H20F3NO2/c22-21(23,24)17-8-4-7-16-18(26)13-20(27-19(16)17)9-11-25(12-10-20)14-15-5-2-1-3-6-15/h1-8H,9-14H2
InChIKeyFSQIYRYBDUVDRJ-UHFFFAOYSA-N
XLogP4.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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 ≤ 103

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Related Compounds

1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 130157727
(E)-3-(1'-benzyl-8-fluoro-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
CID 87258262
(NE)-N-(1'-benzyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-ylidene)hydroxylamine
CID 88869998
1'-benzoyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 100761498
1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one
CID 10613541
3-[4-oxo-1'-[(4-phenylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enoic acid
CID 66932571
1'-benzyl-7-(trifluoromethyl)spiro[4,5-dihydro-3H-1,5-benzoxazepine-2,4'-piperidine]
CID 72699001
3-benzyl-8-[[4-(trifluoromethoxy)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 11993277
1'-[(5-chloro-2-pyridinyl)methyl]spiro[3H-chromene-2,4'-azepane]-4-one
CID 164694401
methyl 3-(1'-benzyl-4-oxospiro[3H-chromene-2,4'-azepane]-6-yl)prop-2-enoate
CID 77221223
2-(9-benzyl-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid
CID 23435681
2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)acetic acid
CID 164694844

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-8-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-benzyl-8-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 100761289) is 1'-benzyl-8-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-benzyl-8-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-benzyl-8-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(Cc3ccccc3)CC2)Oc2c1cccc2C(F)(F)F.
What is the InChIKey of 1'-benzyl-8-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is FSQIYRYBDUVDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO2/c22-21(23,24)17-8-4-7-16-18(26)13-20(27-19(16)17)9-11-25(12-10-20)14-15-5-2-1-3-6-15/h1-8H,9-14H2.
What are the key properties of 1'-benzyl-8-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-benzyl-8-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 375.39 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-8-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 100761289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).