3-(4-fluorophenyl)sulfinyl-2-phenylpropanenitrile

C15H12FNOS — CID 64690038

IUPAC3-(4-fluorophenyl)sulfinyl-2-phenylpropanenitrile
SMILESN#CC(CS(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H12FNOS/c16-14-6-8-15(9-7-14)19(18)11-13(10-17)12-4-2-1-3-5-12/h1-9,13H,11H2
InChIKeyVVRYQFPBXKTTPX-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.24
Rot. Bonds4

About 3-(4-fluorophenyl)sulfinyl-2-phenylpropanenitrile

3-(4-fluorophenyl)sulfinyl-2-phenylpropanenitrile (PubChem CID 64690038) has the molecular formula C15H12FNOS and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfinyl-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfinyl-2-phenylpropanenitrile
PubChem CID64690038
Molecular FormulaC15H12FNOS
Molecular Weight273.33 g/mol
Exact Mass273.06
IUPAC Name3-(4-fluorophenyl)sulfinyl-2-phenylpropanenitrile
SMILESN#CC(CS(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H12FNOS/c16-14-6-8-15(9-7-14)19(18)11-13(10-17)12-4-2-1-3-5-12/h1-9,13H,11H2
InChIKeyVVRYQFPBXKTTPX-UHFFFAOYSA-N
XLogP3.24
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dichlorophenyl)sulfinyl-2-phenylpropanenitrile
CID 115477752
N-[2-(4-fluorophenyl)sulfinyl-1-phenylethyl]propan-1-amine
CID 64657503
S-(4-fluorophenyl) (3R)-3-cyano-3-phenylpropanethioate
CID 175926642
3-[2-(4-fluorophenyl)ethylamino]-2-phenylpropanenitrile
CID 64535575
3-(4-fluorophenyl)sulfinyl-2-methylpropanoic acid
CID 61304128
3-cyano-3-(4-fluorophenyl)-N-phenylpropanamide
CID 82134145
3-hydroxy-2-phenylpropanenitrile
CID 11008065
(2R)-1-chloro-3-[(R)-(4-fluorophenyl)sulfinyl]propan-2-ol
CID 139090415
1-(benzenesulfinyl)-4-fluorobenzene
CID 21200956
2-(4-fluorophenyl)-6-phenoxyhexanenitrile
CID 82137114
ethane;2-phenylbutanenitrile
CID 91343198
1-[(S)-ethylsulfinyl]-4-fluorobenzene
CID 92979290

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfinyl-2-phenylpropanenitrile?
The IUPAC name of 3-(4-fluorophenyl)sulfinyl-2-phenylpropanenitrile (CID 64690038) is 3-(4-fluorophenyl)sulfinyl-2-phenylpropanenitrile.
What is the SMILES notation for 3-(4-fluorophenyl)sulfinyl-2-phenylpropanenitrile?
The canonical SMILES for 3-(4-fluorophenyl)sulfinyl-2-phenylpropanenitrile is N#CC(CS(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfinyl-2-phenylpropanenitrile?
The InChIKey is VVRYQFPBXKTTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNOS/c16-14-6-8-15(9-7-14)19(18)11-13(10-17)12-4-2-1-3-5-12/h1-9,13H,11H2.
What are the key properties of 3-(4-fluorophenyl)sulfinyl-2-phenylpropanenitrile?
3-(4-fluorophenyl)sulfinyl-2-phenylpropanenitrile has a molecular weight of 273.33 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfinyl-2-phenylpropanenitrile is sourced from PubChem (CID 64690038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).