3-fluoro-3-(thiolan-3-yl)butan-2-amine

C8H16FNS — CID 105437219

IUPAC3-fluoro-3-(thiolan-3-yl)butan-2-amine
SMILESCC(N)C(C)(F)C1CCSC1
InChIInChI=1S/C8H16FNS/c1-6(10)8(2,9)7-3-4-11-5-7/h6-7H,3-5,10H2,1-2H3
InChIKeyFOOQHQABBVQSOL-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.81
Rot. Bonds2

About 3-fluoro-3-(thiolan-3-yl)butan-2-amine

3-fluoro-3-(thiolan-3-yl)butan-2-amine (PubChem CID 105437219) 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-2-amine.

Molecular Properties

Compound Name3-fluoro-3-(thiolan-3-yl)butan-2-amine
PubChem CID105437219
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC Name3-fluoro-3-(thiolan-3-yl)butan-2-amine
SMILESCC(N)C(C)(F)C1CCSC1
InChIInChI=1S/C8H16FNS/c1-6(10)8(2,9)7-3-4-11-5-7/h6-7H,3-5,10H2,1-2H3
InChIKeyFOOQHQABBVQSOL-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
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-2-amine?
The IUPAC name of 3-fluoro-3-(thiolan-3-yl)butan-2-amine (CID 105437219) is 3-fluoro-3-(thiolan-3-yl)butan-2-amine.
What is the SMILES notation for 3-fluoro-3-(thiolan-3-yl)butan-2-amine?
The canonical SMILES for 3-fluoro-3-(thiolan-3-yl)butan-2-amine is CC(N)C(C)(F)C1CCSC1.
What is the InChIKey of 3-fluoro-3-(thiolan-3-yl)butan-2-amine?
The InChIKey is FOOQHQABBVQSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNS/c1-6(10)8(2,9)7-3-4-11-5-7/h6-7H,3-5,10H2,1-2H3.
What are the key properties of 3-fluoro-3-(thiolan-3-yl)butan-2-amine?
3-fluoro-3-(thiolan-3-yl)butan-2-amine has a molecular weight of 177.29 g/mol, XLogP of 1.81, 2 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-2-amine is sourced from PubChem (CID 105437219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).