3-fluoro-3-(thiolan-3-yl)butan-1-amine

C8H16FNS — CID 105437222

IUPAC3-fluoro-3-(thiolan-3-yl)butan-1-amine
SMILESCC(F)(CCN)C1CCSC1
InChIInChI=1S/C8H16FNS/c1-8(9,3-4-10)7-2-5-11-6-7/h7H,2-6,10H2,1H3
InChIKeyLJTKTMIOLVFKSB-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.82
Rot. Bonds3

About 3-fluoro-3-(thiolan-3-yl)butan-1-amine

3-fluoro-3-(thiolan-3-yl)butan-1-amine (PubChem CID 105437222) has the molecular formula C8H16FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-fluoro-3-(thiolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(thiolan-3-yl)butan-1-amine
PubChem CID105437222
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC Name3-fluoro-3-(thiolan-3-yl)butan-1-amine
SMILESCC(F)(CCN)C1CCSC1
InChIInChI=1S/C8H16FNS/c1-8(9,3-4-10)7-2-5-11-6-7/h7H,2-6,10H2,1H3
InChIKeyLJTKTMIOLVFKSB-UHFFFAOYSA-N
XLogP1.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 3-fluoro-3-(thiolan-3-yl)butan-1-amine?
The IUPAC name of 3-fluoro-3-(thiolan-3-yl)butan-1-amine (CID 105437222) is 3-fluoro-3-(thiolan-3-yl)butan-1-amine.
What is the SMILES notation for 3-fluoro-3-(thiolan-3-yl)butan-1-amine?
The canonical SMILES for 3-fluoro-3-(thiolan-3-yl)butan-1-amine is CC(F)(CCN)C1CCSC1.
What is the InChIKey of 3-fluoro-3-(thiolan-3-yl)butan-1-amine?
The InChIKey is LJTKTMIOLVFKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNS/c1-8(9,3-4-10)7-2-5-11-6-7/h7H,2-6,10H2,1H3.
What are the key properties of 3-fluoro-3-(thiolan-3-yl)butan-1-amine?
3-fluoro-3-(thiolan-3-yl)butan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(thiolan-3-yl)butan-1-amine is sourced from PubChem (CID 105437222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).