4-(chloromethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole

C8H8ClF4NOS — CID 43138233

IUPAC4-(chloromethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
SMILESFC(F)C(F)(F)COCc1nc(CCl)cs1
InChIInChI=1S/C8H8ClF4NOS/c9-1-5-3-16-6(14-5)2-15-4-8(12,13)7(10)11/h3,7H,1-2,4H2
InChIKeyDZXRCKSGEXIMMB-UHFFFAOYSA-N
MW277.67 g/mol
LogP3.30
Rot. Bonds6

About 4-(chloromethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole

4-(chloromethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole (PubChem CID 43138233) has the molecular formula C8H8ClF4NOS and a molecular weight of 277.67 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
PubChem CID43138233
Molecular FormulaC8H8ClF4NOS
Molecular Weight277.67 g/mol
Exact Mass277.00
IUPAC Name4-(chloromethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
SMILESFC(F)C(F)(F)COCc1nc(CCl)cs1
InChIInChI=1S/C8H8ClF4NOS/c9-1-5-3-16-6(14-5)2-15-4-8(12,13)7(10)11/h3,7H,1-2,4H2
InChIKeyDZXRCKSGEXIMMB-UHFFFAOYSA-N
XLogP3.30
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.67
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Chloromethyl)-2-(methoxymethyl)-1,3-thiazole
CID 15290890
2-(Tert-butoxymethyl)-4-(chloromethyl)thiazole
CID 43138243
4-(Chloromethyl)-2-(1-methoxyethyl)-1,3-thiazole
CID 61695932
4-(Chloromethyl)-2-(cyclobutoxymethyl)thiazole
CID 62142576
4-(Chloromethyl)-2-(2-methoxypropan-2-yl)thiazole
CID 79203137
O-ethyl [(S)-chloro-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]sulfanylmethanethioate
CID 22817069
Ethane;2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole
CID 156847035
2-(Propan-2-yloxymethyl)-4-(trifluoromethyl)-1,3-thiazole
CID 166728023
4-(Chloromethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
CID 43138134
4-(Chloromethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole
CID 43138136
4-(Chloromethyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-thiazole
CID 43138137
4-(Chloromethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-1,3-thiazole
CID 43138234

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole (CID 43138233) is 4-(chloromethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole is FC(F)C(F)(F)COCc1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
The InChIKey is DZXRCKSGEXIMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF4NOS/c9-1-5-3-16-6(14-5)2-15-4-8(12,13)7(10)11/h3,7H,1-2,4H2.
What are the key properties of 4-(chloromethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
4-(chloromethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole has a molecular weight of 277.67 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole is sourced from PubChem (CID 43138233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).