4-(2,2-difluoro-2-phenylethyl)sulfinylpyridin-3-amine

C13H12F2N2OS — CID 116790308

IUPAC4-(2,2-difluoro-2-phenylethyl)sulfinylpyridin-3-amine
SMILESNc1cnccc1S(=O)CC(F)(F)c1ccccc1
InChIInChI=1S/C13H12F2N2OS/c14-13(15,10-4-2-1-3-5-10)9-19(18)12-6-7-17-8-11(12)16/h1-8H,9,16H2
InChIKeyPGXOPFIHWHKXJN-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.56
Rot. Bonds4

About 4-(2,2-difluoro-2-phenylethyl)sulfinylpyridin-3-amine

4-(2,2-difluoro-2-phenylethyl)sulfinylpyridin-3-amine (PubChem CID 116790308) has the molecular formula C13H12F2N2OS and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-(2,2-difluoro-2-phenylethyl)sulfinylpyridin-3-amine.

Molecular Properties

Compound Name4-(2,2-difluoro-2-phenylethyl)sulfinylpyridin-3-amine
PubChem CID116790308
Molecular FormulaC13H12F2N2OS
Molecular Weight282.31 g/mol
Exact Mass282.06
IUPAC Name4-(2,2-difluoro-2-phenylethyl)sulfinylpyridin-3-amine
SMILESNc1cnccc1S(=O)CC(F)(F)c1ccccc1
InChIInChI=1S/C13H12F2N2OS/c14-13(15,10-4-2-1-3-5-10)9-19(18)12-6-7-17-8-11(12)16/h1-8H,9,16H2
InChIKeyPGXOPFIHWHKXJN-UHFFFAOYSA-N
XLogP2.56
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoro-2-phenylethyl)sulfinylpyridin-3-amine?
The IUPAC name of 4-(2,2-difluoro-2-phenylethyl)sulfinylpyridin-3-amine (CID 116790308) is 4-(2,2-difluoro-2-phenylethyl)sulfinylpyridin-3-amine.
What is the SMILES notation for 4-(2,2-difluoro-2-phenylethyl)sulfinylpyridin-3-amine?
The canonical SMILES for 4-(2,2-difluoro-2-phenylethyl)sulfinylpyridin-3-amine is Nc1cnccc1S(=O)CC(F)(F)c1ccccc1.
What is the InChIKey of 4-(2,2-difluoro-2-phenylethyl)sulfinylpyridin-3-amine?
The InChIKey is PGXOPFIHWHKXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2OS/c14-13(15,10-4-2-1-3-5-10)9-19(18)12-6-7-17-8-11(12)16/h1-8H,9,16H2.
What are the key properties of 4-(2,2-difluoro-2-phenylethyl)sulfinylpyridin-3-amine?
4-(2,2-difluoro-2-phenylethyl)sulfinylpyridin-3-amine has a molecular weight of 282.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoro-2-phenylethyl)sulfinylpyridin-3-amine is sourced from PubChem (CID 116790308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).