4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol

C14H14F3NO2S — CID 119039533

IUPAC4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol
SMILESCc1nc(-c2ccc(OCC(O)CC(F)(F)F)cc2)cs1
InChIInChI=1S/C14H14F3NO2S/c1-9-18-13(8-21-9)10-2-4-12(5-3-10)20-7-11(19)6-14(15,16)17/h2-5,8,11,19H,6-7H2,1H3
InChIKeyFOUXDFXYUUCOFH-UHFFFAOYSA-N
MW317.33 g/mol
LogP3.81
Rot. Bonds5

About 4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol

4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol (PubChem CID 119039533) has the molecular formula C14H14F3NO2S and a molecular weight of 317.33 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol
PubChem CID119039533
Molecular FormulaC14H14F3NO2S
Molecular Weight317.33 g/mol
Exact Mass317.07
IUPAC Name4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol
SMILESCc1nc(-c2ccc(OCC(O)CC(F)(F)F)cc2)cs1
InChIInChI=1S/C14H14F3NO2S/c1-9-18-13(8-21-9)10-2-4-12(5-3-10)20-7-11(19)6-14(15,16)17/h2-5,8,11,19H,6-7H2,1H3
InChIKeyFOUXDFXYUUCOFH-UHFFFAOYSA-N
XLogP3.81
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol
CID 100673610
4,4,4-trifluoro-1-(4-propylphenoxy)butan-2-ol
CID 167828364
3-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]propanoic acid
CID 83967585
2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 132533720
2-methyl-4-[4-(pyrimidin-5-ylmethoxy)phenyl]-1,3-thiazole
CID 166393797
(2R)-4,4,4-trifluoro-1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenoxy]butan-2-ol
CID 125142364
4-(4-ethylphenyl)-2-methyl-1,3-thiazole
CID 19240269
3-ethyl-2-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109424888
1-(3,5-dimethoxyphenoxy)-4,4,4-trifluorobutan-2-ol
CID 166218971
4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-2-methyl-1,3-thiazole
CID 123280035
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 8534106
N-(4-methoxy-4-methylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)aniline
CID 43147203

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol?
The IUPAC name of 4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol (CID 119039533) is 4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol?
The canonical SMILES for 4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol is Cc1nc(-c2ccc(OCC(O)CC(F)(F)F)cc2)cs1.
What is the InChIKey of 4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol?
The InChIKey is FOUXDFXYUUCOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2S/c1-9-18-13(8-21-9)10-2-4-12(5-3-10)20-7-11(19)6-14(15,16)17/h2-5,8,11,19H,6-7H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol?
4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol has a molecular weight of 317.33 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol is sourced from PubChem (CID 119039533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).