2,4,4-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-ol

C12H16F3NOS — CID 106782320

IUPAC2,4,4-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-ol
SMILESCC1CC(C)(C)CC1(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H16F3NOS/c1-7-4-10(2,3)6-11(7,17)8-5-16-9(18-8)12(13,14)15/h5,7,17H,4,6H2,1-3H3
InChIKeyAXJHLKLSWXOGGI-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.81
Rot. Bonds1

About 2,4,4-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-ol

2,4,4-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-ol (PubChem CID 106782320) has the molecular formula C12H16F3NOS and a molecular weight of 279.33 g/mol. Its IUPAC name is 2,4,4-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2,4,4-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-ol
PubChem CID106782320
Molecular FormulaC12H16F3NOS
Molecular Weight279.33 g/mol
Exact Mass279.09
IUPAC Name2,4,4-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-ol
SMILESCC1CC(C)(C)CC1(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H16F3NOS/c1-7-4-10(2,3)6-11(7,17)8-5-16-9(18-8)12(13,14)15/h5,7,17H,4,6H2,1-3H3
InChIKeyAXJHLKLSWXOGGI-UHFFFAOYSA-N
XLogP3.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-ol
CID 106782121
trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol
CID 124681224
5-methyl-2-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
CID 106782322
1-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]azepan-4-ol
CID 106782137
2,4,4-trimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 106663685
4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
CID 106784508
1-(3-bromo-2,6-difluorophenyl)-2,4,4-trimethylcyclopentan-1-ol
CID 106941537
2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-ol
CID 106784212
4-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cycloheptan-1-amine
CID 106782385
1-(4-fluoro-3-methylphenyl)-2,4,4-trimethylcyclopentan-1-ol
CID 106663637
1-(cyclohexen-1-yl)-2,4,4-trimethylcyclopentan-1-ol
CID 106663962
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,4,4-trimethylcyclopentan-1-ol
CID 106663731

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-ol?
The IUPAC name of 2,4,4-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-ol (CID 106782320) is 2,4,4-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-ol.
What is the SMILES notation for 2,4,4-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-ol?
The canonical SMILES for 2,4,4-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-ol is CC1CC(C)(C)CC1(O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2,4,4-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-ol?
The InChIKey is AXJHLKLSWXOGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NOS/c1-7-4-10(2,3)6-11(7,17)8-5-16-9(18-8)12(13,14)15/h5,7,17H,4,6H2,1-3H3.
What are the key properties of 2,4,4-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-ol?
2,4,4-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-ol has a molecular weight of 279.33 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-ol is sourced from PubChem (CID 106782320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).