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

C9H11ClF3NOS — CID 66276127

IUPAC4-(chloromethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]-1,3-thiazole
SMILESCC(OCCc1nc(CCl)cs1)C(F)(F)F
InChIInChI=1S/C9H11ClF3NOS/c1-6(9(11,12)13)15-3-2-8-14-7(4-10)5-16-8/h5-6H,2-4H2,1H3
InChIKeyQWFXZQFZUGLRPM-UHFFFAOYSA-N
MW273.71 g/mol
LogP3.39
Rot. Bonds5

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

4-(chloromethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]-1,3-thiazole (PubChem CID 66276127) has the molecular formula C9H11ClF3NOS and a molecular weight of 273.71 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]-1,3-thiazole
PubChem CID66276127
Molecular FormulaC9H11ClF3NOS
Molecular Weight273.71 g/mol
Exact Mass273.02
IUPAC Name4-(chloromethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]-1,3-thiazole
SMILESCC(OCCc1nc(CCl)cs1)C(F)(F)F
InChIInChI=1S/C9H11ClF3NOS/c1-6(9(11,12)13)15-3-2-8-14-7(4-10)5-16-8/h5-6H,2-4H2,1H3
InChIKeyQWFXZQFZUGLRPM-UHFFFAOYSA-N
XLogP3.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.71
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Propan-2-yl 2-(4-(chloromethyl)-1,3-thiazol-2-yl)acetate
CID 16776892
2-(Tert-butoxymethyl)-4-(chloromethyl)thiazole
CID 43138243
4-(Chloromethyl)-2-(1-methoxyethyl)-1,3-thiazole
CID 61695932
4-(Chloromethyl)-2-(2-methoxypropan-2-yl)thiazole
CID 79203137
4-(Chloromethyl)-2-(1,1-difluoroethyl)-1,3-thiazole
CID 165998426
O-ethyl [(S)-chloro-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]sulfanylmethanethioate
CID 22817069
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-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
CID 43138233
4-(Chloromethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-1,3-thiazole
CID 43138234
4-(Chloromethyl)-2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]-1,3-thiazole
CID 43138235

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]-1,3-thiazole (CID 66276127) is 4-(chloromethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]-1,3-thiazole is CC(OCCc1nc(CCl)cs1)C(F)(F)F.
What is the InChIKey of 4-(chloromethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]-1,3-thiazole?
The InChIKey is QWFXZQFZUGLRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3NOS/c1-6(9(11,12)13)15-3-2-8-14-7(4-10)5-16-8/h5-6H,2-4H2,1H3.
What are the key properties of 4-(chloromethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]-1,3-thiazole?
4-(chloromethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]-1,3-thiazole has a molecular weight of 273.71 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]-1,3-thiazole is sourced from PubChem (CID 66276127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).