2-[2-[4-(fluoromethyl)phenoxy]ethyl]-1,3-thiazole

C12H12FNOS — CID 173195213

IUPAC2-[2-[4-(fluoromethyl)phenoxy]ethyl]-1,3-thiazole
SMILESFCc1ccc(OCCc2nccs2)cc1
InChIInChI=1S/C12H12FNOS/c13-9-10-1-3-11(4-2-10)15-7-5-12-14-6-8-16-12/h1-4,6,8H,5,7,9H2
InChIKeyLXZRZPRXJWCPQC-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.23
Rot. Bonds5

About 2-[2-[4-(fluoromethyl)phenoxy]ethyl]-1,3-thiazole

2-[2-[4-(fluoromethyl)phenoxy]ethyl]-1,3-thiazole (PubChem CID 173195213) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[2-[4-(fluoromethyl)phenoxy]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[4-(fluoromethyl)phenoxy]ethyl]-1,3-thiazole
PubChem CID173195213
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name2-[2-[4-(fluoromethyl)phenoxy]ethyl]-1,3-thiazole
SMILESFCc1ccc(OCCc2nccs2)cc1
InChIInChI=1S/C12H12FNOS/c13-9-10-1-3-11(4-2-10)15-7-5-12-14-6-8-16-12/h1-4,6,8H,5,7,9H2
InChIKeyLXZRZPRXJWCPQC-UHFFFAOYSA-N
XLogP3.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(fluoromethyl)phenoxy]ethyl]-1,3-thiazole?
The IUPAC name of 2-[2-[4-(fluoromethyl)phenoxy]ethyl]-1,3-thiazole (CID 173195213) is 2-[2-[4-(fluoromethyl)phenoxy]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[4-(fluoromethyl)phenoxy]ethyl]-1,3-thiazole?
The canonical SMILES for 2-[2-[4-(fluoromethyl)phenoxy]ethyl]-1,3-thiazole is FCc1ccc(OCCc2nccs2)cc1.
What is the InChIKey of 2-[2-[4-(fluoromethyl)phenoxy]ethyl]-1,3-thiazole?
The InChIKey is LXZRZPRXJWCPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c13-9-10-1-3-11(4-2-10)15-7-5-12-14-6-8-16-12/h1-4,6,8H,5,7,9H2.
What are the key properties of 2-[2-[4-(fluoromethyl)phenoxy]ethyl]-1,3-thiazole?
2-[2-[4-(fluoromethyl)phenoxy]ethyl]-1,3-thiazole has a molecular weight of 237.30 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(fluoromethyl)phenoxy]ethyl]-1,3-thiazole is sourced from PubChem (CID 173195213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).