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

C14H14F3NO2S — CID 100673610

IUPAC(2R)-4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol
SMILESCc1nc(-c2ccc(OC[C@H](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/t11-/m1/s1
InChIKeyFOUXDFXYUUCOFH-LLVKDONJSA-N
MW317.33 g/mol
LogP3.81
Rot. Bonds5

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

(2R)-4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol (PubChem CID 100673610) has the molecular formula C14H14F3NO2S and a molecular weight of 317.33 g/mol. Its IUPAC name is (2R)-4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol.

Molecular Properties

Compound Name(2R)-4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol
PubChem CID100673610
Molecular FormulaC14H14F3NO2S
Molecular Weight317.33 g/mol
Exact Mass317.07
IUPAC Name(2R)-4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol
SMILESCc1nc(-c2ccc(OC[C@H](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/t11-/m1/s1
InChIKeyFOUXDFXYUUCOFH-LLVKDONJSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol?
The IUPAC name of (2R)-4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol (CID 100673610) is (2R)-4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol.
What is the SMILES notation for (2R)-4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol?
The canonical SMILES for (2R)-4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol is Cc1nc(-c2ccc(OC[C@H](O)CC(F)(F)F)cc2)cs1.
What is the InChIKey of (2R)-4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol?
The InChIKey is FOUXDFXYUUCOFH-LLVKDONJSA-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/t11-/m1/s1.
What are the key properties of (2R)-4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol?
(2R)-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 (2R)-4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol is sourced from PubChem (CID 100673610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).