1-(3-fluoropropylamino)-2-methyl-3-methylsulfanylpropan-2-ol

C8H18FNOS — CID 106246949

IUPAC1-(3-fluoropropylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNCCCF
InChIInChI=1S/C8H18FNOS/c1-8(11,7-12-2)6-10-5-3-4-9/h10-11H,3-7H2,1-2H3
InChIKeyORZABRJMCBTPDU-UHFFFAOYSA-N
MW195.30 g/mol
LogP1.05
Rot. Bonds7

About 1-(3-fluoropropylamino)-2-methyl-3-methylsulfanylpropan-2-ol

1-(3-fluoropropylamino)-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 106246949) has the molecular formula C8H18FNOS and a molecular weight of 195.30 g/mol. Its IUPAC name is 1-(3-fluoropropylamino)-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(3-fluoropropylamino)-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID106246949
Molecular FormulaC8H18FNOS
Molecular Weight195.30 g/mol
Exact Mass195.11
IUPAC Name1-(3-fluoropropylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNCCCF
InChIInChI=1S/C8H18FNOS/c1-8(11,7-12-2)6-10-5-3-4-9/h10-11H,3-7H2,1-2H3
InChIKeyORZABRJMCBTPDU-UHFFFAOYSA-N
XLogP1.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-(3-fluoropropylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-(3-fluoropropylamino)-2-methyl-3-methylsulfanylpropan-2-ol (CID 106246949) is 1-(3-fluoropropylamino)-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(3-fluoropropylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-(3-fluoropropylamino)-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNCCCF.
What is the InChIKey of 1-(3-fluoropropylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is ORZABRJMCBTPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNOS/c1-8(11,7-12-2)6-10-5-3-4-9/h10-11H,3-7H2,1-2H3.
What are the key properties of 1-(3-fluoropropylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
1-(3-fluoropropylamino)-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 195.30 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropylamino)-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 106246949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).