(2-chloro-1,3-thiazol-4-yl)-[2-(fluoromethoxy)phenyl]methanone

C11H7ClFNO2S — CID 19841641

IUPAC(2-chloro-1,3-thiazol-4-yl)-[2-(fluoromethoxy)phenyl]methanone
SMILESO=C(c1csc(Cl)n1)c1ccccc1OCF
InChIInChI=1S/C11H7ClFNO2S/c12-11-14-8(5-17-11)10(15)7-3-1-2-4-9(7)16-6-13/h1-5H,6H2
InChIKeyAGKBTVMDOKDRPL-UHFFFAOYSA-N
MW271.70 g/mol
LogP3.33
Rot. Bonds4

About (2-chloro-1,3-thiazol-4-yl)-[2-(fluoromethoxy)phenyl]methanone

(2-chloro-1,3-thiazol-4-yl)-[2-(fluoromethoxy)phenyl]methanone (PubChem CID 19841641) has the molecular formula C11H7ClFNO2S and a molecular weight of 271.70 g/mol. Its IUPAC name is (2-chloro-1,3-thiazol-4-yl)-[2-(fluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(2-chloro-1,3-thiazol-4-yl)-[2-(fluoromethoxy)phenyl]methanone
PubChem CID19841641
Molecular FormulaC11H7ClFNO2S
Molecular Weight271.70 g/mol
Exact Mass270.99
IUPAC Name(2-chloro-1,3-thiazol-4-yl)-[2-(fluoromethoxy)phenyl]methanone
SMILESO=C(c1csc(Cl)n1)c1ccccc1OCF
InChIInChI=1S/C11H7ClFNO2S/c12-11-14-8(5-17-11)10(15)7-3-1-2-4-9(7)16-6-13/h1-5H,6H2
InChIKeyAGKBTVMDOKDRPL-UHFFFAOYSA-N
XLogP3.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-1,3-thiazol-4-yl)-[2-(fluoromethoxy)phenyl]methanone?
The IUPAC name of (2-chloro-1,3-thiazol-4-yl)-[2-(fluoromethoxy)phenyl]methanone (CID 19841641) is (2-chloro-1,3-thiazol-4-yl)-[2-(fluoromethoxy)phenyl]methanone.
What is the SMILES notation for (2-chloro-1,3-thiazol-4-yl)-[2-(fluoromethoxy)phenyl]methanone?
The canonical SMILES for (2-chloro-1,3-thiazol-4-yl)-[2-(fluoromethoxy)phenyl]methanone is O=C(c1csc(Cl)n1)c1ccccc1OCF.
What is the InChIKey of (2-chloro-1,3-thiazol-4-yl)-[2-(fluoromethoxy)phenyl]methanone?
The InChIKey is AGKBTVMDOKDRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO2S/c12-11-14-8(5-17-11)10(15)7-3-1-2-4-9(7)16-6-13/h1-5H,6H2.
What are the key properties of (2-chloro-1,3-thiazol-4-yl)-[2-(fluoromethoxy)phenyl]methanone?
(2-chloro-1,3-thiazol-4-yl)-[2-(fluoromethoxy)phenyl]methanone has a molecular weight of 271.70 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1,3-thiazol-4-yl)-[2-(fluoromethoxy)phenyl]methanone is sourced from PubChem (CID 19841641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).