1-fluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine

C16H16FNOS — CID 100922145

IUPAC1-fluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine
SMILESCc1ccc(S(=O)C/C(CF)=N/c2ccccc2)cc1
InChIInChI=1S/C16H16FNOS/c1-13-7-9-16(10-8-13)20(19)12-15(11-17)18-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3/b18-15+
InChIKeyGLZUKWBTWDCFLT-OBGWFSINSA-N
MW289.38 g/mol
LogP3.84
Rot. Bonds5

About 1-fluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine

1-fluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine (PubChem CID 100922145) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-fluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine.

Molecular Properties

Compound Name1-fluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine
PubChem CID100922145
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC Name1-fluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine
SMILESCc1ccc(S(=O)C/C(CF)=N/c2ccccc2)cc1
InChIInChI=1S/C16H16FNOS/c1-13-7-9-16(10-8-13)20(19)12-15(11-17)18-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3/b18-15+
InChIKeyGLZUKWBTWDCFLT-OBGWFSINSA-N
XLogP3.84
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.84
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

1-benzylsulfonyl-3,3,4,4,5,5,6,6-octafluoro-N-(4-methylphenyl)hexan-2-imine
CID 134927590
[4-[(4-Methylphenyl)sulfinylmethyl]phenyl]-[4-(trifluoromethyl)phenyl]diazene
CID 134935588
Methyl-(4-methylphenyl)-oxo-[4-(trifluoromethyl)phenyl]imino-lambda6-sulfane
CID 164667661
2-Methyl-4-phenyl-2,3-dihydro-1,5-benzothiazepine 1,1-dioxide
CID 367468
(2-Chloro-2,4-dimethylpentan-3-yl)-(4-methylphenyl)-oxo-phenylimino-lambda6-sulfane
CID 400257
4-(4-Fluorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine
CID 615342
4-fluoro-2-[(Z)-2-(4-methylsulfinylphenyl)ethenyl]aniline
CID 18397182
4-fluoro-2-[(E)-2-(4-methylsulfinylphenyl)ethenyl]aniline
CID 19361940
4-Fluoro-2-[2-(4-methylsulfinylphenyl)ethenyl]aniline
CID 54171100
1-ethyl-2-methylpentyl 3-(4-fluorophenylthio)-N-(phenyl)thioacrylimidate
CID 58579766
1-ethyl-2-methylbutyl 3-(4-fluorophenylthio)-N-(phenyl)thioacrylimidate
CID 58579775
1-cyclopentylethyl 3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-enimidothioate
CID 58579788

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine?
The IUPAC name of 1-fluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine (CID 100922145) is 1-fluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine.
What is the SMILES notation for 1-fluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine?
The canonical SMILES for 1-fluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine is Cc1ccc(S(=O)C/C(CF)=N/c2ccccc2)cc1.
What is the InChIKey of 1-fluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine?
The InChIKey is GLZUKWBTWDCFLT-OBGWFSINSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-13-7-9-16(10-8-13)20(19)12-15(11-17)18-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3/b18-15+.
What are the key properties of 1-fluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine?
1-fluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine has a molecular weight of 289.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine is sourced from PubChem (CID 100922145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).