1-[5-(tert-butylamino)-2,2-bis(4-fluorophenyl)-3H-furan-4-yl]ethanone

C22H23F2NO2 — CID 10523252

IUPAC1-[5-(tert-butylamino)-2,2-bis(4-fluorophenyl)-3H-furan-4-yl]ethanone
SMILESCC(=O)C1=C(NC(C)(C)C)OC(c2ccc(F)cc2)(c2ccc(F)cc2)C1
InChIInChI=1S/C22H23F2NO2/c1-14(26)19-13-22(15-5-9-17(23)10-6-15,16-7-11-18(24)12-8-16)27-20(19)25-21(2,3)4/h5-12,25H,13H2,1-4H3
InChIKeyYGGAHWMVMUHBRU-UHFFFAOYSA-N
MW371.43 g/mol
LogP4.82
Rot. Bonds4

About 1-[5-(tert-butylamino)-2,2-bis(4-fluorophenyl)-3H-furan-4-yl]ethanone

1-[5-(tert-butylamino)-2,2-bis(4-fluorophenyl)-3H-furan-4-yl]ethanone (PubChem CID 10523252) has the molecular formula C22H23F2NO2 and a molecular weight of 371.43 g/mol. Its IUPAC name is 1-[5-(tert-butylamino)-2,2-bis(4-fluorophenyl)-3H-furan-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(tert-butylamino)-2,2-bis(4-fluorophenyl)-3H-furan-4-yl]ethanone
PubChem CID10523252
Molecular FormulaC22H23F2NO2
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name1-[5-(tert-butylamino)-2,2-bis(4-fluorophenyl)-3H-furan-4-yl]ethanone
SMILESCC(=O)C1=C(NC(C)(C)C)OC(c2ccc(F)cc2)(c2ccc(F)cc2)C1
InChIInChI=1S/C22H23F2NO2/c1-14(26)19-13-22(15-5-9-17(23)10-6-15,16-7-11-18(24)12-8-16)27-20(19)25-21(2,3)4/h5-12,25H,13H2,1-4H3
InChIKeyYGGAHWMVMUHBRU-UHFFFAOYSA-N
XLogP4.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Methylamino)-2-phenyl-2-[3-(trifluoromethyl)phenyl]furan-3-one
CID 22001207
4-(3-Fluorophenyl)-5-(methylamino)-2-phenylfuran-3-one
CID 59073346
5-Amino-2-phenyl-4-(2,4,5-trifluoro-3-methylphenyl)furan-3-one
CID 88673717
[1-(2,3-difluorophenyl)-2-oxocyclohexyl] N-tert-butylcarbamate
CID 169771059
[2-oxo-1-(2,4,6-trifluorophenyl)cyclohexyl] N-tert-butylcarbamate
CID 169771426
1-[2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-yl]ethanone
CID 11109807
N-tert-butyl-2,2-bis(4-fluorophenyl)-5-methyl-3H-furan-4-carboxamide
CID 11793579
Difluoromethane;4-(3-fluorophenyl)-5-(methylamino)-2-phenylfuran-3-one
CID 157647111
1-[5-(butylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone
CID 10520804
1-[5-(2-hydroxyethylamino)-2,2-diphenyl-3H-furan-4-yl]ethanone
CID 10639649
1-[5-(tert-butylamino)-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone
CID 10713767
1-[5-(tert-butylamino)-2,2-bis(4-chlorophenyl)-3H-furan-4-yl]ethanone
CID 10739952

Frequently Asked Questions

What is the IUPAC name of 1-[5-(tert-butylamino)-2,2-bis(4-fluorophenyl)-3H-furan-4-yl]ethanone?
The IUPAC name of 1-[5-(tert-butylamino)-2,2-bis(4-fluorophenyl)-3H-furan-4-yl]ethanone (CID 10523252) is 1-[5-(tert-butylamino)-2,2-bis(4-fluorophenyl)-3H-furan-4-yl]ethanone.
What is the SMILES notation for 1-[5-(tert-butylamino)-2,2-bis(4-fluorophenyl)-3H-furan-4-yl]ethanone?
The canonical SMILES for 1-[5-(tert-butylamino)-2,2-bis(4-fluorophenyl)-3H-furan-4-yl]ethanone is CC(=O)C1=C(NC(C)(C)C)OC(c2ccc(F)cc2)(c2ccc(F)cc2)C1.
What is the InChIKey of 1-[5-(tert-butylamino)-2,2-bis(4-fluorophenyl)-3H-furan-4-yl]ethanone?
The InChIKey is YGGAHWMVMUHBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2NO2/c1-14(26)19-13-22(15-5-9-17(23)10-6-15,16-7-11-18(24)12-8-16)27-20(19)25-21(2,3)4/h5-12,25H,13H2,1-4H3.
What are the key properties of 1-[5-(tert-butylamino)-2,2-bis(4-fluorophenyl)-3H-furan-4-yl]ethanone?
1-[5-(tert-butylamino)-2,2-bis(4-fluorophenyl)-3H-furan-4-yl]ethanone has a molecular weight of 371.43 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(tert-butylamino)-2,2-bis(4-fluorophenyl)-3H-furan-4-yl]ethanone is sourced from PubChem (CID 10523252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).