2-fluoro-N-methyl-1-propan-2-ylsulfanylpropan-1-amine

C7H16FNS — CID 166655060

IUPAC2-fluoro-N-methyl-1-propan-2-ylsulfanylpropan-1-amine
SMILESCNC(SC(C)C)C(C)F
InChIInChI=1S/C7H16FNS/c1-5(2)10-7(9-4)6(3)8/h5-7,9H,1-4H3
InChIKeyNYZABZIHDRZNPB-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.03
Rot. Bonds4

About 2-fluoro-N-methyl-1-propan-2-ylsulfanylpropan-1-amine

2-fluoro-N-methyl-1-propan-2-ylsulfanylpropan-1-amine (PubChem CID 166655060) has the molecular formula C7H16FNS and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-fluoro-N-methyl-1-propan-2-ylsulfanylpropan-1-amine.

Molecular Properties

Compound Name2-fluoro-N-methyl-1-propan-2-ylsulfanylpropan-1-amine
PubChem CID166655060
Molecular FormulaC7H16FNS
Molecular Weight165.28 g/mol
Exact Mass165.10
IUPAC Name2-fluoro-N-methyl-1-propan-2-ylsulfanylpropan-1-amine
SMILESCNC(SC(C)C)C(C)F
InChIInChI=1S/C7H16FNS/c1-5(2)10-7(9-4)6(3)8/h5-7,9H,1-4H3
InChIKeyNYZABZIHDRZNPB-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-1-propan-2-ylsulfanylpropan-1-amine?
The IUPAC name of 2-fluoro-N-methyl-1-propan-2-ylsulfanylpropan-1-amine (CID 166655060) is 2-fluoro-N-methyl-1-propan-2-ylsulfanylpropan-1-amine.
What is the SMILES notation for 2-fluoro-N-methyl-1-propan-2-ylsulfanylpropan-1-amine?
The canonical SMILES for 2-fluoro-N-methyl-1-propan-2-ylsulfanylpropan-1-amine is CNC(SC(C)C)C(C)F.
What is the InChIKey of 2-fluoro-N-methyl-1-propan-2-ylsulfanylpropan-1-amine?
The InChIKey is NYZABZIHDRZNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNS/c1-5(2)10-7(9-4)6(3)8/h5-7,9H,1-4H3.
What are the key properties of 2-fluoro-N-methyl-1-propan-2-ylsulfanylpropan-1-amine?
2-fluoro-N-methyl-1-propan-2-ylsulfanylpropan-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-1-propan-2-ylsulfanylpropan-1-amine is sourced from PubChem (CID 166655060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).