3,3-difluoro-2-(2-fluorophenyl)-5-methyl-5-methylsulfonyl-2,4-dihydropyridin-6-amine

C13H15F3N2O2S — CID 126733915

IUPAC3,3-difluoro-2-(2-fluorophenyl)-5-methyl-5-methylsulfonyl-2,4-dihydropyridin-6-amine
SMILESCC1(S(C)(=O)=O)CC(F)(F)C(c2ccccc2F)N=C1N
InChIInChI=1S/C13H15F3N2O2S/c1-12(21(2,19)20)7-13(15,16)10(18-11(12)17)8-5-3-4-6-9(8)14/h3-6,10H,7H2,1-2H3,(H2,17,18)
InChIKeyIHXCEHOOUVCCTC-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.07
Rot. Bonds2

About 3,3-difluoro-2-(2-fluorophenyl)-5-methyl-5-methylsulfonyl-2,4-dihydropyridin-6-amine

3,3-difluoro-2-(2-fluorophenyl)-5-methyl-5-methylsulfonyl-2,4-dihydropyridin-6-amine (PubChem CID 126733915) has the molecular formula C13H15F3N2O2S and a molecular weight of 320.34 g/mol. Its IUPAC name is 3,3-difluoro-2-(2-fluorophenyl)-5-methyl-5-methylsulfonyl-2,4-dihydropyridin-6-amine.

Molecular Properties

Compound Name3,3-difluoro-2-(2-fluorophenyl)-5-methyl-5-methylsulfonyl-2,4-dihydropyridin-6-amine
PubChem CID126733915
Molecular FormulaC13H15F3N2O2S
Molecular Weight320.34 g/mol
Exact Mass320.08
IUPAC Name3,3-difluoro-2-(2-fluorophenyl)-5-methyl-5-methylsulfonyl-2,4-dihydropyridin-6-amine
SMILESCC1(S(C)(=O)=O)CC(F)(F)C(c2ccccc2F)N=C1N
InChIInChI=1S/C13H15F3N2O2S/c1-12(21(2,19)20)7-13(15,16)10(18-11(12)17)8-5-3-4-6-9(8)14/h3-6,10H,7H2,1-2H3,(H2,17,18)
InChIKeyIHXCEHOOUVCCTC-UHFFFAOYSA-N
XLogP2.07
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-6-(5-amino-2-fluorophenyl)-5,5-difluoro-3,6-dimethyl-3-methylsulfonyl-4H-pyridin-2-amine
CID 126733753
5-ethyl-2-(2-fluorophenyl)-5-methylsulfanyl-3,4-dihydro-2H-pyridin-6-amine;fluoromethane
CID 145279661
(2R)-2-(2-fluorophenyl)-1-methylsulfonylpyrrolidine
CID 51694778
2-(2-fluorophenyl)-5,5-dimethyl-1,3-dioxane
CID 174359153
4-(2-fluorophenyl)-6-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine
CID 144673057
2-(2-fluorophenyl)-1-methylcyclopropane-1-carboxylic acid
CID 82112065
1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid
CID 53276275
cis-(1S,2S)-1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid
CID 95002519
3-(2,3-difluorophenyl)-6,6-dimethyl-2,3-dihydro-1,4-thiazin-5-amine
CID 126633706
4-amino-5-(2-fluorophenyl)-1,5-dihydroimidazol-2-one
CID 79961733
3-(2-fluorophenyl)-2,2-dimethylcyclobutan-1-ol
CID 81415603
5-(2-fluorophenyl)-4-methylsulfonylpyrrolidine-2-carboxylic acid
CID 19700420

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-(2-fluorophenyl)-5-methyl-5-methylsulfonyl-2,4-dihydropyridin-6-amine?
The IUPAC name of 3,3-difluoro-2-(2-fluorophenyl)-5-methyl-5-methylsulfonyl-2,4-dihydropyridin-6-amine (CID 126733915) is 3,3-difluoro-2-(2-fluorophenyl)-5-methyl-5-methylsulfonyl-2,4-dihydropyridin-6-amine.
What is the SMILES notation for 3,3-difluoro-2-(2-fluorophenyl)-5-methyl-5-methylsulfonyl-2,4-dihydropyridin-6-amine?
The canonical SMILES for 3,3-difluoro-2-(2-fluorophenyl)-5-methyl-5-methylsulfonyl-2,4-dihydropyridin-6-amine is CC1(S(C)(=O)=O)CC(F)(F)C(c2ccccc2F)N=C1N.
What is the InChIKey of 3,3-difluoro-2-(2-fluorophenyl)-5-methyl-5-methylsulfonyl-2,4-dihydropyridin-6-amine?
The InChIKey is IHXCEHOOUVCCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2S/c1-12(21(2,19)20)7-13(15,16)10(18-11(12)17)8-5-3-4-6-9(8)14/h3-6,10H,7H2,1-2H3,(H2,17,18).
What are the key properties of 3,3-difluoro-2-(2-fluorophenyl)-5-methyl-5-methylsulfonyl-2,4-dihydropyridin-6-amine?
3,3-difluoro-2-(2-fluorophenyl)-5-methyl-5-methylsulfonyl-2,4-dihydropyridin-6-amine has a molecular weight of 320.34 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-(2-fluorophenyl)-5-methyl-5-methylsulfonyl-2,4-dihydropyridin-6-amine is sourced from PubChem (CID 126733915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).