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

C10H12ClF4NOS — CID 43138235

IUPAC4-(chloromethyl)-2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]-1,3-thiazole
SMILESFC(F)C(F)(F)COCCCc1nc(CCl)cs1
InChIInChI=1S/C10H12ClF4NOS/c11-4-7-5-18-8(16-7)2-1-3-17-6-10(14,15)9(12)13/h5,9H,1-4,6H2
InChIKeyBYGSLEFOSGKVAN-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.73
Rot. Bonds8

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

4-(chloromethyl)-2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]-1,3-thiazole (PubChem CID 43138235) has the molecular formula C10H12ClF4NOS and a molecular weight of 305.72 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]-1,3-thiazole
PubChem CID43138235
Molecular FormulaC10H12ClF4NOS
Molecular Weight305.72 g/mol
Exact Mass305.03
IUPAC Name4-(chloromethyl)-2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]-1,3-thiazole
SMILESFC(F)C(F)(F)COCCCc1nc(CCl)cs1
InChIInChI=1S/C10H12ClF4NOS/c11-4-7-5-18-8(16-7)2-1-3-17-6-10(14,15)9(12)13/h5,9H,1-4,6H2
InChIKeyBYGSLEFOSGKVAN-UHFFFAOYSA-N
XLogP3.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.73
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-[3-(2,2,3,3-tetrafluoropropoxy)propyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]-1,3-thiazole (CID 43138235) is 4-(chloromethyl)-2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]-1,3-thiazole is FC(F)C(F)(F)COCCCc1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]-1,3-thiazole?
The InChIKey is BYGSLEFOSGKVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF4NOS/c11-4-7-5-18-8(16-7)2-1-3-17-6-10(14,15)9(12)13/h5,9H,1-4,6H2.
What are the key properties of 4-(chloromethyl)-2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]-1,3-thiazole?
4-(chloromethyl)-2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]-1,3-thiazole has a molecular weight of 305.72 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]-1,3-thiazole is sourced from PubChem (CID 43138235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).