(5-fluoro-2,3-dihydrothiophen-2-yl)methanamine

C5H8FNS — CID 130239682

IUPAC(5-fluoro-2,3-dihydrothiophen-2-yl)methanamine
SMILESNCC1CC=C(F)S1
InChIInChI=1S/C5H8FNS/c6-5-2-1-4(3-7)8-5/h2,4H,1,3,7H2
InChIKeyMIWWFGIUWMVTJP-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.26
Rot. Bonds1

About (5-fluoro-2,3-dihydrothiophen-2-yl)methanamine

(5-fluoro-2,3-dihydrothiophen-2-yl)methanamine (PubChem CID 130239682) has the molecular formula C5H8FNS and a molecular weight of 133.19 g/mol. Its IUPAC name is (5-fluoro-2,3-dihydrothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-2,3-dihydrothiophen-2-yl)methanamine
PubChem CID130239682
Molecular FormulaC5H8FNS
Molecular Weight133.19 g/mol
Exact Mass133.04
IUPAC Name(5-fluoro-2,3-dihydrothiophen-2-yl)methanamine
SMILESNCC1CC=C(F)S1
InChIInChI=1S/C5H8FNS/c6-5-2-1-4(3-7)8-5/h2,4H,1,3,7H2
InChIKeyMIWWFGIUWMVTJP-UHFFFAOYSA-N
XLogP1.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,3-dihydrothiophen-2-yl)methanamine?
The IUPAC name of (5-fluoro-2,3-dihydrothiophen-2-yl)methanamine (CID 130239682) is (5-fluoro-2,3-dihydrothiophen-2-yl)methanamine.
What is the SMILES notation for (5-fluoro-2,3-dihydrothiophen-2-yl)methanamine?
The canonical SMILES for (5-fluoro-2,3-dihydrothiophen-2-yl)methanamine is NCC1CC=C(F)S1.
What is the InChIKey of (5-fluoro-2,3-dihydrothiophen-2-yl)methanamine?
The InChIKey is MIWWFGIUWMVTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNS/c6-5-2-1-4(3-7)8-5/h2,4H,1,3,7H2.
What are the key properties of (5-fluoro-2,3-dihydrothiophen-2-yl)methanamine?
(5-fluoro-2,3-dihydrothiophen-2-yl)methanamine has a molecular weight of 133.19 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,3-dihydrothiophen-2-yl)methanamine is sourced from PubChem (CID 130239682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).