2-(fluoromethyl)-2,3-dihydro-1,3-thiazole

C4H6FNS — CID 173147255

IUPAC2-(fluoromethyl)-2,3-dihydro-1,3-thiazole
SMILESFCC1NC=CS1
InChIInChI=1S/C4H6FNS/c5-3-4-6-1-2-7-4/h1-2,4,6H,3H2
InChIKeyJYXZRWMRDYEACX-UHFFFAOYSA-N
MW119.16 g/mol
LogP1.09
Rot. Bonds1

About 2-(fluoromethyl)-2,3-dihydro-1,3-thiazole

2-(fluoromethyl)-2,3-dihydro-1,3-thiazole (PubChem CID 173147255) has the molecular formula C4H6FNS and a molecular weight of 119.16 g/mol. Its IUPAC name is 2-(fluoromethyl)-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(fluoromethyl)-2,3-dihydro-1,3-thiazole
PubChem CID173147255
Molecular FormulaC4H6FNS
Molecular Weight119.16 g/mol
Exact Mass119.02
IUPAC Name2-(fluoromethyl)-2,3-dihydro-1,3-thiazole
SMILESFCC1NC=CS1
InChIInChI=1S/C4H6FNS/c5-3-4-6-1-2-7-4/h1-2,4,6H,3H2
InChIKeyJYXZRWMRDYEACX-UHFFFAOYSA-N
XLogP1.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-2,3-dihydro-1,3-thiazole?
The IUPAC name of 2-(fluoromethyl)-2,3-dihydro-1,3-thiazole (CID 173147255) is 2-(fluoromethyl)-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(fluoromethyl)-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 2-(fluoromethyl)-2,3-dihydro-1,3-thiazole is FCC1NC=CS1.
What is the InChIKey of 2-(fluoromethyl)-2,3-dihydro-1,3-thiazole?
The InChIKey is JYXZRWMRDYEACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNS/c5-3-4-6-1-2-7-4/h1-2,4,6H,3H2.
What are the key properties of 2-(fluoromethyl)-2,3-dihydro-1,3-thiazole?
2-(fluoromethyl)-2,3-dihydro-1,3-thiazole has a molecular weight of 119.16 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 173147255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).