4-(2,2-difluoroethylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one

C19H20F5NO2 — CID 138977290

IUPAC4-(2,2-difluoroethylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1OC2(CCCCC2)C(NCC(F)F)=C1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H20F5NO2/c20-15(21)11-25-16-14(17(26)27-18(16)8-2-1-3-9-18)10-12-4-6-13(7-5-12)19(22,23)24/h4-7,15,25H,1-3,8-11H2
InChIKeyGUFSBUPRPZQFCP-UHFFFAOYSA-N
MW389.36 g/mol
LogP4.62
Rot. Bonds5

About 4-(2,2-difluoroethylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one

4-(2,2-difluoroethylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 138977290) has the molecular formula C19H20F5NO2 and a molecular weight of 389.36 g/mol. Its IUPAC name is 4-(2,2-difluoroethylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-(2,2-difluoroethylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID138977290
Molecular FormulaC19H20F5NO2
Molecular Weight389.36 g/mol
Exact Mass389.14
IUPAC Name4-(2,2-difluoroethylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1OC2(CCCCC2)C(NCC(F)F)=C1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H20F5NO2/c20-15(21)11-25-16-14(17(26)27-18(16)8-2-1-3-9-18)10-12-4-6-13(7-5-12)19(22,23)24/h4-7,15,25H,1-3,8-11H2
InChIKeyGUFSBUPRPZQFCP-UHFFFAOYSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,2-difluoroethylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-Phenylethyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one
CID 685180
3-Benzyl-4-(2,2-difluoroethylamino)-1-oxaspiro[4.5]dec-3-en-2-one
CID 138977279
3-[(4-Chlorophenyl)methyl]-4-(2,2-difluoroethylamino)-1-oxaspiro[4.5]dec-3-en-2-one
CID 138977281
4-(Methylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one
CID 138977291
4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]-2H-furan-5-one
CID 10830459
Tert-butyl 4-[4-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine-2-carboxylate
CID 70039295
Ethyl 2-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexene-1-carboxylate
CID 118978273
Ethyl 2-[[1-ethoxy-1-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-2-yl]amino]cyclopentene-1-carboxylate;methane
CID 144447481
Ethyl 2-[[1-ethoxy-1-oxo-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-2-yl]amino]cyclopentene-1-carboxylate
CID 144447517
methyl (Z)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-3-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]dec-2-enoate
CID 11006717
Ethyl 2-[[1-ethoxy-1-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-2-yl]amino]cyclopentene-1-carboxylate
CID 144447482
methyl (E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-3-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]dec-2-enoate
CID 177592780

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-(2,2-difluoroethylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one (CID 138977290) is 4-(2,2-difluoroethylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-(2,2-difluoroethylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-(2,2-difluoroethylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one is O=C1OC2(CCCCC2)C(NCC(F)F)=C1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-(2,2-difluoroethylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is GUFSBUPRPZQFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F5NO2/c20-15(21)11-25-16-14(17(26)27-18(16)8-2-1-3-9-18)10-12-4-6-13(7-5-12)19(22,23)24/h4-7,15,25H,1-3,8-11H2.
What are the key properties of 4-(2,2-difluoroethylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one?
4-(2,2-difluoroethylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 389.36 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 138977290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).