1-(2,4-dichloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol

C12H7Cl2F4NOS — CID 106781987

IUPAC1-(2,4-dichloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
SMILESCC(O)(c1cnc(C(F)(F)F)s1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C12H7Cl2F4NOS/c1-11(20,5-2-8(15)7(14)3-6(5)13)9-4-19-10(21-9)12(16,17)18/h2-4,20H,1H3
InChIKeyMRHXADLNLWCZKP-UHFFFAOYSA-N
MW360.16 g/mol
LogP4.86
Rot. Bonds2

About 1-(2,4-dichloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol

1-(2,4-dichloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol (PubChem CID 106781987) has the molecular formula C12H7Cl2F4NOS and a molecular weight of 360.16 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-(2,4-dichloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
PubChem CID106781987
Molecular FormulaC12H7Cl2F4NOS
Molecular Weight360.16 g/mol
Exact Mass358.96
IUPAC Name1-(2,4-dichloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
SMILESCC(O)(c1cnc(C(F)(F)F)s1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C12H7Cl2F4NOS/c1-11(20,5-2-8(15)7(14)3-6(5)13)9-4-19-10(21-9)12(16,17)18/h2-4,20H,1H3
InChIKeyMRHXADLNLWCZKP-UHFFFAOYSA-N
XLogP4.86
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.16
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol
CID 106782217
1-(2,4-dichloro-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanol
CID 63407138
1-amino-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 106782230
1,1-dimethoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 106782166
2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol
CID 61056644
1,5-dichloro-2-(1,1-dichloroethyl)-4-fluorobenzene
CID 175360558
2-(2,4-dichloro-5-fluorophenyl)-3-methylbut-3-en-2-ol
CID 79190116
methyl 2-(2,4-dichloro-5-fluorophenyl)-2-hydroxypropanoate
CID 62214465
4-(tert-butylamino)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol
CID 106784457
1-(5-chlorothiophen-2-yl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 65146324
2-(2,4-dichloro-5-fluorophenyl)-3-methylbutan-2-amine
CID 60929261
2-(2,4-dichloro-5-fluorophenyl)-1,1-difluoropropan-2-amine
CID 131580102

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-(2,4-dichloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol (CID 106781987) is 1-(2,4-dichloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-(2,4-dichloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-(2,4-dichloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol is CC(O)(c1cnc(C(F)(F)F)s1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is MRHXADLNLWCZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F4NOS/c1-11(20,5-2-8(15)7(14)3-6(5)13)9-4-19-10(21-9)12(16,17)18/h2-4,20H,1H3.
What are the key properties of 1-(2,4-dichloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol?
1-(2,4-dichloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 360.16 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 106781987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).