4-(chloromethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-1,3-thiazole

C9H10ClF4NOS — CID 43138234

IUPAC4-(chloromethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-1,3-thiazole
SMILESFC(F)C(F)(F)COCCc1nc(CCl)cs1
InChIInChI=1S/C9H10ClF4NOS/c10-3-6-4-17-7(15-6)1-2-16-5-9(13,14)8(11)12/h4,8H,1-3,5H2
InChIKeyDYYWPWBYWDBWLB-UHFFFAOYSA-N
MW291.70 g/mol
LogP3.34
Rot. Bonds7

About 4-(chloromethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-1,3-thiazole

4-(chloromethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-1,3-thiazole (PubChem CID 43138234) has the molecular formula C9H10ClF4NOS and a molecular weight of 291.70 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-1,3-thiazole
PubChem CID43138234
Molecular FormulaC9H10ClF4NOS
Molecular Weight291.70 g/mol
Exact Mass291.01
IUPAC Name4-(chloromethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-1,3-thiazole
SMILESFC(F)C(F)(F)COCCc1nc(CCl)cs1
InChIInChI=1S/C9H10ClF4NOS/c10-3-6-4-17-7(15-6)1-2-16-5-9(13,14)8(11)12/h4,8H,1-3,5H2
InChIKeyDYYWPWBYWDBWLB-UHFFFAOYSA-N
XLogP3.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.70
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-1,3-thiazole (CID 43138234) is 4-(chloromethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-1,3-thiazole is FC(F)C(F)(F)COCCc1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-1,3-thiazole?
The InChIKey is DYYWPWBYWDBWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF4NOS/c10-3-6-4-17-7(15-6)1-2-16-5-9(13,14)8(11)12/h4,8H,1-3,5H2.
What are the key properties of 4-(chloromethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-1,3-thiazole?
4-(chloromethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-1,3-thiazole has a molecular weight of 291.70 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-1,3-thiazole is sourced from PubChem (CID 43138234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).