6-(5-amino-2-fluorophenyl)-5,5-difluoropiperidine-2-thione

C11H11F3N2S — CID 145079064

IUPAC6-(5-amino-2-fluorophenyl)-5,5-difluoropiperidine-2-thione
SMILESNc1ccc(F)c(C2NC(=S)CCC2(F)F)c1
InChIInChI=1S/C11H11F3N2S/c12-8-2-1-6(15)5-7(8)10-11(13,14)4-3-9(17)16-10/h1-2,5,10H,3-4,15H2,(H,16,17)
InChIKeyDRYVVFUDJHYPFE-UHFFFAOYSA-N
MW260.28 g/mol
LogP2.80
Rot. Bonds1

About 6-(5-amino-2-fluorophenyl)-5,5-difluoropiperidine-2-thione

6-(5-amino-2-fluorophenyl)-5,5-difluoropiperidine-2-thione (PubChem CID 145079064) has the molecular formula C11H11F3N2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 6-(5-amino-2-fluorophenyl)-5,5-difluoropiperidine-2-thione.

Molecular Properties

Compound Name6-(5-amino-2-fluorophenyl)-5,5-difluoropiperidine-2-thione
PubChem CID145079064
Molecular FormulaC11H11F3N2S
Molecular Weight260.28 g/mol
Exact Mass260.06
IUPAC Name6-(5-amino-2-fluorophenyl)-5,5-difluoropiperidine-2-thione
SMILESNc1ccc(F)c(C2NC(=S)CCC2(F)F)c1
InChIInChI=1S/C11H11F3N2S/c12-8-2-1-6(15)5-7(8)10-11(13,14)4-3-9(17)16-10/h1-2,5,10H,3-4,15H2,(H,16,17)
InChIKeyDRYVVFUDJHYPFE-UHFFFAOYSA-N
XLogP2.80
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-(4,4-difluorocyclohexyl)-3-fluoroaniline
CID 162444535
(5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione;hydrochloride
CID 86667993
(3S,5S,6R)-6-(5-amino-2-fluorophenyl)-3,5-difluoro-3,6-dimethylpiperidine-2-thione
CID 121334893
(5S)-5-(5-amino-2-fluorophenyl)-2,5,6,7-tetrahydro-1,4-oxazepin-3-amine
CID 163838579
1,2,3,4-tetrahydronaphthalene-1,7-diamine
CID 21256693
(1R)-4-fluoro-2,3-dihydro-1H-indene-1,6-diamine
CID 55275275
(1R)-1,2,3,4-tetrahydronaphthalene-1,7-diamine
CID 55277801
3,4-difluoroaniline;piperidin-3-ol
CID 158309036
5-(5-bromo-2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
CID 82997078
ethane;4-fluoro-3-methylaniline
CID 142250330
3-fluoro-4-pyrrolidin-3-ylaniline
CID 22625736
3-(5-amino-2-fluorophenyl)-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine;ethane;methoxymethane
CID 144606503

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-2-fluorophenyl)-5,5-difluoropiperidine-2-thione?
The IUPAC name of 6-(5-amino-2-fluorophenyl)-5,5-difluoropiperidine-2-thione (CID 145079064) is 6-(5-amino-2-fluorophenyl)-5,5-difluoropiperidine-2-thione.
What is the SMILES notation for 6-(5-amino-2-fluorophenyl)-5,5-difluoropiperidine-2-thione?
The canonical SMILES for 6-(5-amino-2-fluorophenyl)-5,5-difluoropiperidine-2-thione is Nc1ccc(F)c(C2NC(=S)CCC2(F)F)c1.
What is the InChIKey of 6-(5-amino-2-fluorophenyl)-5,5-difluoropiperidine-2-thione?
The InChIKey is DRYVVFUDJHYPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2S/c12-8-2-1-6(15)5-7(8)10-11(13,14)4-3-9(17)16-10/h1-2,5,10H,3-4,15H2,(H,16,17).
What are the key properties of 6-(5-amino-2-fluorophenyl)-5,5-difluoropiperidine-2-thione?
6-(5-amino-2-fluorophenyl)-5,5-difluoropiperidine-2-thione has a molecular weight of 260.28 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-2-fluorophenyl)-5,5-difluoropiperidine-2-thione is sourced from PubChem (CID 145079064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).