4-(fluoromethyl)-2-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole

C10H9F2NS — CID 141363839

IUPAC4-(fluoromethyl)-2-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole
SMILESFCC1CSC(c2ccccc2F)=N1
InChIInChI=1S/C10H9F2NS/c11-5-7-6-14-10(13-7)8-3-1-2-4-9(8)12/h1-4,7H,5-6H2
InChIKeyBVRHVVNCMNKJNO-UHFFFAOYSA-N
MW213.25 g/mol
LogP2.66
Rot. Bonds2

About 4-(fluoromethyl)-2-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole

4-(fluoromethyl)-2-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole (PubChem CID 141363839) has the molecular formula C10H9F2NS and a molecular weight of 213.25 g/mol. Its IUPAC name is 4-(fluoromethyl)-2-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-(fluoromethyl)-2-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole
PubChem CID141363839
Molecular FormulaC10H9F2NS
Molecular Weight213.25 g/mol
Exact Mass213.04
IUPAC Name4-(fluoromethyl)-2-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole
SMILESFCC1CSC(c2ccccc2F)=N1
InChIInChI=1S/C10H9F2NS/c11-5-7-6-14-10(13-7)8-3-1-2-4-9(8)12/h1-4,7H,5-6H2
InChIKeyBVRHVVNCMNKJNO-UHFFFAOYSA-N
XLogP2.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 4-(fluoromethyl)-2-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole (CID 141363839) is 4-(fluoromethyl)-2-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 4-(fluoromethyl)-2-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 4-(fluoromethyl)-2-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole is FCC1CSC(c2ccccc2F)=N1.
What is the InChIKey of 4-(fluoromethyl)-2-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole?
The InChIKey is BVRHVVNCMNKJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NS/c11-5-7-6-14-10(13-7)8-3-1-2-4-9(8)12/h1-4,7H,5-6H2.
What are the key properties of 4-(fluoromethyl)-2-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole?
4-(fluoromethyl)-2-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole has a molecular weight of 213.25 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 141363839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).