3,3,3-trifluoro-2-[(2-fluorophenyl)sulfinylmethyl]propanenitrile

C10H7F4NOS — CID 103372465

IUPAC3,3,3-trifluoro-2-[(2-fluorophenyl)sulfinylmethyl]propanenitrile
SMILESN#CC(CS(=O)c1ccccc1F)C(F)(F)F
InChIInChI=1S/C10H7F4NOS/c11-8-3-1-2-4-9(8)17(16)6-7(5-15)10(12,13)14/h1-4,7H,6H2
InChIKeyVIOIYIPPIOJMMX-UHFFFAOYSA-N
MW265.23 g/mol
LogP2.64
Rot. Bonds3

About 3,3,3-trifluoro-2-[(2-fluorophenyl)sulfinylmethyl]propanenitrile

3,3,3-trifluoro-2-[(2-fluorophenyl)sulfinylmethyl]propanenitrile (PubChem CID 103372465) has the molecular formula C10H7F4NOS and a molecular weight of 265.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(2-fluorophenyl)sulfinylmethyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(2-fluorophenyl)sulfinylmethyl]propanenitrile
PubChem CID103372465
Molecular FormulaC10H7F4NOS
Molecular Weight265.23 g/mol
Exact Mass265.02
IUPAC Name3,3,3-trifluoro-2-[(2-fluorophenyl)sulfinylmethyl]propanenitrile
SMILESN#CC(CS(=O)c1ccccc1F)C(F)(F)F
InChIInChI=1S/C10H7F4NOS/c11-8-3-1-2-4-9(8)17(16)6-7(5-15)10(12,13)14/h1-4,7H,6H2
InChIKeyVIOIYIPPIOJMMX-UHFFFAOYSA-N
XLogP2.64
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(2-fluorophenyl)sulfinylmethyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[(2-fluorophenyl)sulfinylmethyl]propanenitrile (CID 103372465) is 3,3,3-trifluoro-2-[(2-fluorophenyl)sulfinylmethyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[(2-fluorophenyl)sulfinylmethyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[(2-fluorophenyl)sulfinylmethyl]propanenitrile is N#CC(CS(=O)c1ccccc1F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(2-fluorophenyl)sulfinylmethyl]propanenitrile?
The InChIKey is VIOIYIPPIOJMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F4NOS/c11-8-3-1-2-4-9(8)17(16)6-7(5-15)10(12,13)14/h1-4,7H,6H2.
What are the key properties of 3,3,3-trifluoro-2-[(2-fluorophenyl)sulfinylmethyl]propanenitrile?
3,3,3-trifluoro-2-[(2-fluorophenyl)sulfinylmethyl]propanenitrile has a molecular weight of 265.23 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(2-fluorophenyl)sulfinylmethyl]propanenitrile is sourced from PubChem (CID 103372465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).