2-(fluoromethyl)-4-prop-1-enyl-1,3-thiazole

C7H8FNS — CID 91153440

IUPAC2-(fluoromethyl)-4-prop-1-enyl-1,3-thiazole
SMILESCC=Cc1csc(CF)n1
InChIInChI=1S/C7H8FNS/c1-2-3-6-5-10-7(4-8)9-6/h2-3,5H,4H2,1H3
InChIKeyOKQXCOQDYUPKRF-UHFFFAOYSA-N
MW157.21 g/mol
LogP2.65
Rot. Bonds2

About 2-(fluoromethyl)-4-prop-1-enyl-1,3-thiazole

2-(fluoromethyl)-4-prop-1-enyl-1,3-thiazole (PubChem CID 91153440) has the molecular formula C7H8FNS and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-(fluoromethyl)-4-prop-1-enyl-1,3-thiazole.

Molecular Properties

Compound Name2-(fluoromethyl)-4-prop-1-enyl-1,3-thiazole
PubChem CID91153440
Molecular FormulaC7H8FNS
Molecular Weight157.21 g/mol
Exact Mass157.04
IUPAC Name2-(fluoromethyl)-4-prop-1-enyl-1,3-thiazole
SMILESCC=Cc1csc(CF)n1
InChIInChI=1S/C7H8FNS/c1-2-3-6-5-10-7(4-8)9-6/h2-3,5H,4H2,1H3
InChIKeyOKQXCOQDYUPKRF-UHFFFAOYSA-N
XLogP2.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-4-prop-1-enyl-1,3-thiazole?
The IUPAC name of 2-(fluoromethyl)-4-prop-1-enyl-1,3-thiazole (CID 91153440) is 2-(fluoromethyl)-4-prop-1-enyl-1,3-thiazole.
What is the SMILES notation for 2-(fluoromethyl)-4-prop-1-enyl-1,3-thiazole?
The canonical SMILES for 2-(fluoromethyl)-4-prop-1-enyl-1,3-thiazole is CC=Cc1csc(CF)n1.
What is the InChIKey of 2-(fluoromethyl)-4-prop-1-enyl-1,3-thiazole?
The InChIKey is OKQXCOQDYUPKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNS/c1-2-3-6-5-10-7(4-8)9-6/h2-3,5H,4H2,1H3.
What are the key properties of 2-(fluoromethyl)-4-prop-1-enyl-1,3-thiazole?
2-(fluoromethyl)-4-prop-1-enyl-1,3-thiazole has a molecular weight of 157.21 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-4-prop-1-enyl-1,3-thiazole is sourced from PubChem (CID 91153440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).