3-[4-(3-fluoropropyl)phenyl]imino-1-phenylpropan-1-one

C18H18FNO — CID 123966811

IUPAC3-[4-(3-fluoropropyl)phenyl]imino-1-phenylpropan-1-one
SMILESO=C(C/C=N/c1ccc(CCCF)cc1)c1ccccc1
InChIInChI=1S/C18H18FNO/c19-13-4-5-15-8-10-17(11-9-15)20-14-12-18(21)16-6-2-1-3-7-16/h1-3,6-11,14H,4-5,12-13H2/b20-14+
InChIKeyDLSINHXIUHDIMS-XSFVSMFZSA-N
MW283.35 g/mol
LogP4.56
Rot. Bonds7

About 3-[4-(3-fluoropropyl)phenyl]imino-1-phenylpropan-1-one

3-[4-(3-fluoropropyl)phenyl]imino-1-phenylpropan-1-one (PubChem CID 123966811) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-[4-(3-fluoropropyl)phenyl]imino-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[4-(3-fluoropropyl)phenyl]imino-1-phenylpropan-1-one
PubChem CID123966811
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name3-[4-(3-fluoropropyl)phenyl]imino-1-phenylpropan-1-one
SMILESO=C(C/C=N/c1ccc(CCCF)cc1)c1ccccc1
InChIInChI=1S/C18H18FNO/c19-13-4-5-15-8-10-17(11-9-15)20-14-12-18(21)16-6-2-1-3-7-16/h1-3,6-11,14H,4-5,12-13H2/b20-14+
InChIKeyDLSINHXIUHDIMS-XSFVSMFZSA-N
XLogP4.56
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(3-oxo-3-phenylpropylidene)amino]benzoate
CID 91896741
3-[4-(3-hydroxypropoxy)phenyl]imino-1-phenylpropan-1-one
CID 123927854
3-amino-1-[4-(3-fluoropropyl)phenyl]propan-1-one
CID 117298773
1-(4-bromophenyl)-3-[4-(2-(18F)fluoroethoxy)phenyl]iminopropan-1-one
CID 123817992
4-[[3-(4-methoxyphenyl)-3-oxopropylidene]amino]benzoic acid
CID 7584169
4-(4-benzoylphenyl)-1-phenylbutan-1-one
CID 15737707
1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanone
CID 62031765
2-[4-(3-fluoropropyl)phenyl]ethanol
CID 117279232
sodium;hydride;3-oxo-3-phenylpropanal
CID 173206962
2,2-dideuterio-1,3-diphenylpropan-1-one
CID 23727371
1-(5-fluoropentyl)-4-phenylbenzene
CID 20663493
(E)-5-oxo-5-phenylpent-2-enoic acid
CID 23337590

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluoropropyl)phenyl]imino-1-phenylpropan-1-one?
The IUPAC name of 3-[4-(3-fluoropropyl)phenyl]imino-1-phenylpropan-1-one (CID 123966811) is 3-[4-(3-fluoropropyl)phenyl]imino-1-phenylpropan-1-one.
What is the SMILES notation for 3-[4-(3-fluoropropyl)phenyl]imino-1-phenylpropan-1-one?
The canonical SMILES for 3-[4-(3-fluoropropyl)phenyl]imino-1-phenylpropan-1-one is O=C(C/C=N/c1ccc(CCCF)cc1)c1ccccc1.
What is the InChIKey of 3-[4-(3-fluoropropyl)phenyl]imino-1-phenylpropan-1-one?
The InChIKey is DLSINHXIUHDIMS-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H18FNO/c19-13-4-5-15-8-10-17(11-9-15)20-14-12-18(21)16-6-2-1-3-7-16/h1-3,6-11,14H,4-5,12-13H2/b20-14+.
What are the key properties of 3-[4-(3-fluoropropyl)phenyl]imino-1-phenylpropan-1-one?
3-[4-(3-fluoropropyl)phenyl]imino-1-phenylpropan-1-one has a molecular weight of 283.35 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluoropropyl)phenyl]imino-1-phenylpropan-1-one is sourced from PubChem (CID 123966811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).