N-methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine

C10H18F5NOS — CID 86696857

IUPACN-methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine
SMILESCNCCCCS(=O)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H18F5NOS/c1-16-6-2-3-7-18(17)8-4-5-9(11,12)10(13,14)15/h16H,2-8H2,1H3
InChIKeyTZFZDOPUYHOQEM-UHFFFAOYSA-N
MW295.32 g/mol
LogP2.71
Rot. Bonds9

About N-methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine

N-methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine (PubChem CID 86696857) has the molecular formula C10H18F5NOS and a molecular weight of 295.32 g/mol. Its IUPAC name is N-methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine
PubChem CID86696857
Molecular FormulaC10H18F5NOS
Molecular Weight295.32 g/mol
Exact Mass295.10
IUPAC NameN-methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine
SMILESCNCCCCS(=O)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H18F5NOS/c1-16-6-2-3-7-18(17)8-4-5-9(11,12)10(13,14)15/h16H,2-8H2,1H3
InChIKeyTZFZDOPUYHOQEM-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine?
The IUPAC name of N-methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine (CID 86696857) is N-methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine.
What is the SMILES notation for N-methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine?
The canonical SMILES for N-methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine is CNCCCCS(=O)CCCC(F)(F)C(F)(F)F.
What is the InChIKey of N-methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine?
The InChIKey is TZFZDOPUYHOQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F5NOS/c1-16-6-2-3-7-18(17)8-4-5-9(11,12)10(13,14)15/h16H,2-8H2,1H3.
What are the key properties of N-methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine?
N-methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine has a molecular weight of 295.32 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4,4,5,5,5-pentafluoropentylsulfinyl)butan-1-amine is sourced from PubChem (CID 86696857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).