2-(3-fluorothiolan-3-yl)-2-methylpropan-1-amine

C8H16FNS — CID 105437234

IUPAC2-(3-fluorothiolan-3-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)C1(F)CCSC1
InChIInChI=1S/C8H16FNS/c1-7(2,5-10)8(9)3-4-11-6-8/h3-6,10H2,1-2H3
InChIKeyYTXTVMTVWLRYEB-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.82
Rot. Bonds2

About 2-(3-fluorothiolan-3-yl)-2-methylpropan-1-amine

2-(3-fluorothiolan-3-yl)-2-methylpropan-1-amine (PubChem CID 105437234) has the molecular formula C8H16FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-(3-fluorothiolan-3-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3-fluorothiolan-3-yl)-2-methylpropan-1-amine
PubChem CID105437234
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC Name2-(3-fluorothiolan-3-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)C1(F)CCSC1
InChIInChI=1S/C8H16FNS/c1-7(2,5-10)8(9)3-4-11-6-8/h3-6,10H2,1-2H3
InChIKeyYTXTVMTVWLRYEB-UHFFFAOYSA-N
XLogP1.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorothiolan-3-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(3-fluorothiolan-3-yl)-2-methylpropan-1-amine (CID 105437234) is 2-(3-fluorothiolan-3-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(3-fluorothiolan-3-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(3-fluorothiolan-3-yl)-2-methylpropan-1-amine is CC(C)(CN)C1(F)CCSC1.
What is the InChIKey of 2-(3-fluorothiolan-3-yl)-2-methylpropan-1-amine?
The InChIKey is YTXTVMTVWLRYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNS/c1-7(2,5-10)8(9)3-4-11-6-8/h3-6,10H2,1-2H3.
What are the key properties of 2-(3-fluorothiolan-3-yl)-2-methylpropan-1-amine?
2-(3-fluorothiolan-3-yl)-2-methylpropan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorothiolan-3-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 105437234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).