5-(2,5-difluorophenyl)sulfinylpentan-1-amine

C11H15F2NOS — CID 81328148

IUPAC5-(2,5-difluorophenyl)sulfinylpentan-1-amine
SMILESNCCCCCS(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H15F2NOS/c12-9-4-5-10(13)11(8-9)16(15)7-3-1-2-6-14/h4-5,8H,1-3,6-7,14H2
InChIKeyXKIFNKAAXJOZBI-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.20
Rot. Bonds6

About 5-(2,5-difluorophenyl)sulfinylpentan-1-amine

5-(2,5-difluorophenyl)sulfinylpentan-1-amine (PubChem CID 81328148) has the molecular formula C11H15F2NOS and a molecular weight of 247.31 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)sulfinylpentan-1-amine.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)sulfinylpentan-1-amine
PubChem CID81328148
Molecular FormulaC11H15F2NOS
Molecular Weight247.31 g/mol
Exact Mass247.08
IUPAC Name5-(2,5-difluorophenyl)sulfinylpentan-1-amine
SMILESNCCCCCS(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H15F2NOS/c12-9-4-5-10(13)11(8-9)16(15)7-3-1-2-6-14/h4-5,8H,1-3,6-7,14H2
InChIKeyXKIFNKAAXJOZBI-UHFFFAOYSA-N
XLogP2.20
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)sulfinylpentan-1-amine?
The IUPAC name of 5-(2,5-difluorophenyl)sulfinylpentan-1-amine (CID 81328148) is 5-(2,5-difluorophenyl)sulfinylpentan-1-amine.
What is the SMILES notation for 5-(2,5-difluorophenyl)sulfinylpentan-1-amine?
The canonical SMILES for 5-(2,5-difluorophenyl)sulfinylpentan-1-amine is NCCCCCS(=O)c1cc(F)ccc1F.
What is the InChIKey of 5-(2,5-difluorophenyl)sulfinylpentan-1-amine?
The InChIKey is XKIFNKAAXJOZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NOS/c12-9-4-5-10(13)11(8-9)16(15)7-3-1-2-6-14/h4-5,8H,1-3,6-7,14H2.
What are the key properties of 5-(2,5-difluorophenyl)sulfinylpentan-1-amine?
5-(2,5-difluorophenyl)sulfinylpentan-1-amine has a molecular weight of 247.31 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)sulfinylpentan-1-amine is sourced from PubChem (CID 81328148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).