N-methyl-3-(4,4,5,5,5-pentafluoropentylsulfinyl)propan-1-amine

C9H16F5NOS — CID 22671175

IUPACN-methyl-3-(4,4,5,5,5-pentafluoropentylsulfinyl)propan-1-amine
SMILESCNCCCS(=O)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C9H16F5NOS/c1-15-5-3-7-17(16)6-2-4-8(10,11)9(12,13)14/h15H,2-7H2,1H3
InChIKeyJGCBPEIVXRMWML-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.32
Rot. Bonds8

About N-methyl-3-(4,4,5,5,5-pentafluoropentylsulfinyl)propan-1-amine

N-methyl-3-(4,4,5,5,5-pentafluoropentylsulfinyl)propan-1-amine (PubChem CID 22671175) has the molecular formula C9H16F5NOS and a molecular weight of 281.29 g/mol. Its IUPAC name is N-methyl-3-(4,4,5,5,5-pentafluoropentylsulfinyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4,4,5,5,5-pentafluoropentylsulfinyl)propan-1-amine
PubChem CID22671175
Molecular FormulaC9H16F5NOS
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC NameN-methyl-3-(4,4,5,5,5-pentafluoropentylsulfinyl)propan-1-amine
SMILESCNCCCS(=O)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C9H16F5NOS/c1-15-5-3-7-17(16)6-2-4-8(10,11)9(12,13)14/h15H,2-7H2,1H3
InChIKeyJGCBPEIVXRMWML-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.32
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-3-(4,4,5,5,5-pentafluoropentylsulfinyl)propan-1-amine?
The IUPAC name of N-methyl-3-(4,4,5,5,5-pentafluoropentylsulfinyl)propan-1-amine (CID 22671175) is N-methyl-3-(4,4,5,5,5-pentafluoropentylsulfinyl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(4,4,5,5,5-pentafluoropentylsulfinyl)propan-1-amine?
The canonical SMILES for N-methyl-3-(4,4,5,5,5-pentafluoropentylsulfinyl)propan-1-amine is CNCCCS(=O)CCCC(F)(F)C(F)(F)F.
What is the InChIKey of N-methyl-3-(4,4,5,5,5-pentafluoropentylsulfinyl)propan-1-amine?
The InChIKey is JGCBPEIVXRMWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F5NOS/c1-15-5-3-7-17(16)6-2-4-8(10,11)9(12,13)14/h15H,2-7H2,1H3.
What are the key properties of N-methyl-3-(4,4,5,5,5-pentafluoropentylsulfinyl)propan-1-amine?
N-methyl-3-(4,4,5,5,5-pentafluoropentylsulfinyl)propan-1-amine has a molecular weight of 281.29 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4,4,5,5,5-pentafluoropentylsulfinyl)propan-1-amine is sourced from PubChem (CID 22671175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).