N-(2-fluoroethyl)-2-methyl-3-methylsulfanylpropan-1-amine

C7H16FNS — CID 80693882

IUPACN-(2-fluoroethyl)-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCCF
InChIInChI=1S/C7H16FNS/c1-7(6-10-2)5-9-4-3-8/h7,9H,3-6H2,1-2H3
InChIKeyRIPPKGNYKLAYOZ-UHFFFAOYSA-N
MW165.28 g/mol
LogP1.54
Rot. Bonds6

About N-(2-fluoroethyl)-2-methyl-3-methylsulfanylpropan-1-amine

N-(2-fluoroethyl)-2-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 80693882) has the molecular formula C7H16FNS and a molecular weight of 165.28 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-methyl-3-methylsulfanylpropan-1-amine
PubChem CID80693882
Molecular FormulaC7H16FNS
Molecular Weight165.28 g/mol
Exact Mass165.10
IUPAC NameN-(2-fluoroethyl)-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCCF
InChIInChI=1S/C7H16FNS/c1-7(6-10-2)5-9-4-3-8/h7,9H,3-6H2,1-2H3
InChIKeyRIPPKGNYKLAYOZ-UHFFFAOYSA-N
XLogP1.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 51.54
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 N-(2-fluoroethyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-(2-fluoroethyl)-2-methyl-3-methylsulfanylpropan-1-amine (CID 80693882) is N-(2-fluoroethyl)-2-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-(2-fluoroethyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-(2-fluoroethyl)-2-methyl-3-methylsulfanylpropan-1-amine is CSCC(C)CNCCF.
What is the InChIKey of N-(2-fluoroethyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is RIPPKGNYKLAYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNS/c1-7(6-10-2)5-9-4-3-8/h7,9H,3-6H2,1-2H3.
What are the key properties of N-(2-fluoroethyl)-2-methyl-3-methylsulfanylpropan-1-amine?
N-(2-fluoroethyl)-2-methyl-3-methylsulfanylpropan-1-amine has a molecular weight of 165.28 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 80693882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).