1-[5-(1,1-difluoroethyl)-2-morpholin-4-ylphenyl]-3-naphthalen-1-ylpropan-2-one

C25H25F2NO2 — CID 146707777

IUPAC1-[5-(1,1-difluoroethyl)-2-morpholin-4-ylphenyl]-3-naphthalen-1-ylpropan-2-one
SMILESCC(F)(F)c1ccc(N2CCOCC2)c(CC(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C25H25F2NO2/c1-25(26,27)21-9-10-24(28-11-13-30-14-12-28)20(15-21)17-22(29)16-19-7-4-6-18-5-2-3-8-23(18)19/h2-10,15H,11-14,16-17H2,1H3
InChIKeyQZYGYFJSENNTPC-UHFFFAOYSA-N
MW409.48 g/mol
LogP5.14
Rot. Bonds6

About 1-[5-(1,1-difluoroethyl)-2-morpholin-4-ylphenyl]-3-naphthalen-1-ylpropan-2-one

1-[5-(1,1-difluoroethyl)-2-morpholin-4-ylphenyl]-3-naphthalen-1-ylpropan-2-one (PubChem CID 146707777) has the molecular formula C25H25F2NO2 and a molecular weight of 409.48 g/mol. Its IUPAC name is 1-[5-(1,1-difluoroethyl)-2-morpholin-4-ylphenyl]-3-naphthalen-1-ylpropan-2-one.

Molecular Properties

Compound Name1-[5-(1,1-difluoroethyl)-2-morpholin-4-ylphenyl]-3-naphthalen-1-ylpropan-2-one
PubChem CID146707777
Molecular FormulaC25H25F2NO2
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Name1-[5-(1,1-difluoroethyl)-2-morpholin-4-ylphenyl]-3-naphthalen-1-ylpropan-2-one
SMILESCC(F)(F)c1ccc(N2CCOCC2)c(CC(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C25H25F2NO2/c1-25(26,27)21-9-10-24(28-11-13-30-14-12-28)20(15-21)17-22(29)16-19-7-4-6-18-5-2-3-8-23(18)19/h2-10,15H,11-14,16-17H2,1H3
InChIKeyQZYGYFJSENNTPC-UHFFFAOYSA-N
XLogP5.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.48
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-morpholin-4-yl-5-(naphthalen-1-ylmethylamino)benzoate
CID 2035033
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] naphthalene-1-carboxylate
CID 2437347
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide
CID 39923349
1-tert-butyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 78786583
4-[2-(2,2-dimethylpropyl)phenyl]morpholine
CID 58063137
2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 110443194
4,4-dimethyl-1-naphthalen-1-ylpentan-2-one
CID 61055866
N-[(2-morpholin-4-ylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 86859322
morpholin-4-yl-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 31695814
3-[[(2-morpholin-4-ylphenyl)methylamino]methyl]benzoic acid
CID 120509971
[(2S)-2-morpholin-4-ylcyclohexyl] 2-naphthalen-1-ylacetate
CID 59981697
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-naphthalen-1-ylacetamide
CID 6724203

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1-difluoroethyl)-2-morpholin-4-ylphenyl]-3-naphthalen-1-ylpropan-2-one?
The IUPAC name of 1-[5-(1,1-difluoroethyl)-2-morpholin-4-ylphenyl]-3-naphthalen-1-ylpropan-2-one (CID 146707777) is 1-[5-(1,1-difluoroethyl)-2-morpholin-4-ylphenyl]-3-naphthalen-1-ylpropan-2-one.
What is the SMILES notation for 1-[5-(1,1-difluoroethyl)-2-morpholin-4-ylphenyl]-3-naphthalen-1-ylpropan-2-one?
The canonical SMILES for 1-[5-(1,1-difluoroethyl)-2-morpholin-4-ylphenyl]-3-naphthalen-1-ylpropan-2-one is CC(F)(F)c1ccc(N2CCOCC2)c(CC(=O)Cc2cccc3ccccc23)c1.
What is the InChIKey of 1-[5-(1,1-difluoroethyl)-2-morpholin-4-ylphenyl]-3-naphthalen-1-ylpropan-2-one?
The InChIKey is QZYGYFJSENNTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2NO2/c1-25(26,27)21-9-10-24(28-11-13-30-14-12-28)20(15-21)17-22(29)16-19-7-4-6-18-5-2-3-8-23(18)19/h2-10,15H,11-14,16-17H2,1H3.
What are the key properties of 1-[5-(1,1-difluoroethyl)-2-morpholin-4-ylphenyl]-3-naphthalen-1-ylpropan-2-one?
1-[5-(1,1-difluoroethyl)-2-morpholin-4-ylphenyl]-3-naphthalen-1-ylpropan-2-one has a molecular weight of 409.48 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,1-difluoroethyl)-2-morpholin-4-ylphenyl]-3-naphthalen-1-ylpropan-2-one is sourced from PubChem (CID 146707777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).