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

C16H15F2NOS — CID 100922150

IUPAC1,1-difluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine
SMILESCc1ccc(S(=O)C/C(=N/c2ccccc2)C(F)F)cc1
InChIInChI=1S/C16H15F2NOS/c1-12-7-9-14(10-8-12)21(20)11-15(16(17)18)19-13-5-3-2-4-6-13/h2-10,16H,11H2,1H3/b19-15-
InChIKeyHGPZXRFUGDIHGL-CYVLTUHYSA-N
MW307.37 g/mol
LogP4.14
Rot. Bonds5

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

1,1-difluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine (PubChem CID 100922150) has the molecular formula C16H15F2NOS and a molecular weight of 307.37 g/mol. Its IUPAC name is 1,1-difluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine.

Molecular Properties

Compound Name1,1-difluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine
PubChem CID100922150
Molecular FormulaC16H15F2NOS
Molecular Weight307.37 g/mol
Exact Mass307.08
IUPAC Name1,1-difluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine
SMILESCc1ccc(S(=O)C/C(=N/c2ccccc2)C(F)F)cc1
InChIInChI=1S/C16H15F2NOS/c1-12-7-9-14(10-8-12)21(20)11-15(16(17)18)19-13-5-3-2-4-6-13/h2-10,16H,11H2,1H3/b19-15-
InChIKeyHGPZXRFUGDIHGL-CYVLTUHYSA-N
XLogP4.14
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.14
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

2-[(S)-(4-methylphenyl)sulfinyl]acetic acid
CID 54403067
(1R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
CID 13026508
(1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
CID 13026509
1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanone
CID 12729207
3,3,4,4,4-pentafluoro-N-(4-methoxyphenyl)-1-[(R)-(4-methylphenyl)sulfinyl]butan-2-imine
CID 10835109
1-methyl-4-[(R)-2-phenylethylsulfinyl]benzene
CID 14025349
1-methyl-4-(2-phenylethylsulfinyl)benzene
CID 14025348
methyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate
CID 10751029
N,N-dimethyl-2-[(R)-(4-methylphenyl)sulfinyl]acetamide
CID 10867970
1-chloro-3-(4-methylphenyl)sulfinylpropan-2-one
CID 13495347
(2R)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 10932431
3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-N-(4-methoxyphenyl)-1-[(R)-(4-methylphenyl)sulfinyl]nonan-2-imine
CID 10995905

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine?
The IUPAC name of 1,1-difluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine (CID 100922150) is 1,1-difluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine.
What is the SMILES notation for 1,1-difluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine?
The canonical SMILES for 1,1-difluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine is Cc1ccc(S(=O)C/C(=N/c2ccccc2)C(F)F)cc1.
What is the InChIKey of 1,1-difluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine?
The InChIKey is HGPZXRFUGDIHGL-CYVLTUHYSA-N. The full InChI is InChI=1S/C16H15F2NOS/c1-12-7-9-14(10-8-12)21(20)11-15(16(17)18)19-13-5-3-2-4-6-13/h2-10,16H,11H2,1H3/b19-15-.
What are the key properties of 1,1-difluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine?
1,1-difluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine has a molecular weight of 307.37 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(4-methylphenyl)sulfinyl-N-phenylpropan-2-imine is sourced from PubChem (CID 100922150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).