2-(2,5-difluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile

C15H11F2NOS — CID 142867676

IUPAC2-(2,5-difluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile
SMILESCc1ccc(S(=O)C(C#N)c2cc(F)ccc2F)cc1
InChIInChI=1S/C15H11F2NOS/c1-10-2-5-12(6-3-10)20(19)15(9-18)13-8-11(16)4-7-14(13)17/h2-8,15H,1H3
InChIKeyLADKMPJKEWJZRZ-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.65
Rot. Bonds3

About 2-(2,5-difluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile

2-(2,5-difluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile (PubChem CID 142867676) has the molecular formula C15H11F2NOS and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile
PubChem CID142867676
Molecular FormulaC15H11F2NOS
Molecular Weight291.32 g/mol
Exact Mass291.05
IUPAC Name2-(2,5-difluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile
SMILESCc1ccc(S(=O)C(C#N)c2cc(F)ccc2F)cc1
InChIInChI=1S/C15H11F2NOS/c1-10-2-5-12(6-3-10)20(19)15(9-18)13-8-11(16)4-7-14(13)17/h2-8,15H,1H3
InChIKeyLADKMPJKEWJZRZ-UHFFFAOYSA-N
XLogP3.65
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile?
The IUPAC name of 2-(2,5-difluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile (CID 142867676) is 2-(2,5-difluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile.
What is the SMILES notation for 2-(2,5-difluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile?
The canonical SMILES for 2-(2,5-difluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile is Cc1ccc(S(=O)C(C#N)c2cc(F)ccc2F)cc1.
What is the InChIKey of 2-(2,5-difluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile?
The InChIKey is LADKMPJKEWJZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NOS/c1-10-2-5-12(6-3-10)20(19)15(9-18)13-8-11(16)4-7-14(13)17/h2-8,15H,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile?
2-(2,5-difluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile has a molecular weight of 291.32 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-2-(4-methylphenyl)sulfinylacetonitrile is sourced from PubChem (CID 142867676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).