(4-fluorothiolan-3-yl)methanamine

C5H10FNS — CID 83853749

IUPAC(4-fluorothiolan-3-yl)methanamine
SMILESNCC1CSCC1F
InChIInChI=1S/C5H10FNS/c6-5-3-8-2-4(5)1-7/h4-5H,1-3,7H2
InChIKeyGUSPMALEFXTRHV-UHFFFAOYSA-N
MW135.21 g/mol
LogP0.65
Rot. Bonds1

About (4-fluorothiolan-3-yl)methanamine

(4-fluorothiolan-3-yl)methanamine (PubChem CID 83853749) has the molecular formula C5H10FNS and a molecular weight of 135.21 g/mol. Its IUPAC name is (4-fluorothiolan-3-yl)methanamine.

Molecular Properties

Compound Name(4-fluorothiolan-3-yl)methanamine
PubChem CID83853749
Molecular FormulaC5H10FNS
Molecular Weight135.21 g/mol
Exact Mass135.05
IUPAC Name(4-fluorothiolan-3-yl)methanamine
SMILESNCC1CSCC1F
InChIInChI=1S/C5H10FNS/c6-5-3-8-2-4(5)1-7/h4-5H,1-3,7H2
InChIKeyGUSPMALEFXTRHV-UHFFFAOYSA-N
XLogP0.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorothiolan-3-yl)methanamine?
The IUPAC name of (4-fluorothiolan-3-yl)methanamine (CID 83853749) is (4-fluorothiolan-3-yl)methanamine.
What is the SMILES notation for (4-fluorothiolan-3-yl)methanamine?
The canonical SMILES for (4-fluorothiolan-3-yl)methanamine is NCC1CSCC1F.
What is the InChIKey of (4-fluorothiolan-3-yl)methanamine?
The InChIKey is GUSPMALEFXTRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNS/c6-5-3-8-2-4(5)1-7/h4-5H,1-3,7H2.
What are the key properties of (4-fluorothiolan-3-yl)methanamine?
(4-fluorothiolan-3-yl)methanamine has a molecular weight of 135.21 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorothiolan-3-yl)methanamine is sourced from PubChem (CID 83853749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).