1,1,1-trifluoro-5-phenyl-2-(1,3-thiazol-2-yl)pentan-2-ol

C14H14F3NOS — CID 11822745

IUPAC1,1,1-trifluoro-5-phenyl-2-(1,3-thiazol-2-yl)pentan-2-ol
SMILESOC(CCCc1ccccc1)(c1nccs1)C(F)(F)F
InChIInChI=1S/C14H14F3NOS/c15-14(16,17)13(19,12-18-9-10-20-12)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,19H,4,7-8H2
InChIKeyPWQRGJDRWKSBFM-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.92
Rot. Bonds5

About 1,1,1-trifluoro-5-phenyl-2-(1,3-thiazol-2-yl)pentan-2-ol

1,1,1-trifluoro-5-phenyl-2-(1,3-thiazol-2-yl)pentan-2-ol (PubChem CID 11822745) has the molecular formula C14H14F3NOS and a molecular weight of 301.33 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-phenyl-2-(1,3-thiazol-2-yl)pentan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-5-phenyl-2-(1,3-thiazol-2-yl)pentan-2-ol
PubChem CID11822745
Molecular FormulaC14H14F3NOS
Molecular Weight301.33 g/mol
Exact Mass301.07
IUPAC Name1,1,1-trifluoro-5-phenyl-2-(1,3-thiazol-2-yl)pentan-2-ol
SMILESOC(CCCc1ccccc1)(c1nccs1)C(F)(F)F
InChIInChI=1S/C14H14F3NOS/c15-14(16,17)13(19,12-18-9-10-20-12)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,19H,4,7-8H2
InChIKeyPWQRGJDRWKSBFM-UHFFFAOYSA-N
XLogP3.92
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-phenyl-2-(1,3-thiazol-2-yl)pentan-2-ol?
The IUPAC name of 1,1,1-trifluoro-5-phenyl-2-(1,3-thiazol-2-yl)pentan-2-ol (CID 11822745) is 1,1,1-trifluoro-5-phenyl-2-(1,3-thiazol-2-yl)pentan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-5-phenyl-2-(1,3-thiazol-2-yl)pentan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-5-phenyl-2-(1,3-thiazol-2-yl)pentan-2-ol is OC(CCCc1ccccc1)(c1nccs1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-phenyl-2-(1,3-thiazol-2-yl)pentan-2-ol?
The InChIKey is PWQRGJDRWKSBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NOS/c15-14(16,17)13(19,12-18-9-10-20-12)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,19H,4,7-8H2.
What are the key properties of 1,1,1-trifluoro-5-phenyl-2-(1,3-thiazol-2-yl)pentan-2-ol?
1,1,1-trifluoro-5-phenyl-2-(1,3-thiazol-2-yl)pentan-2-ol has a molecular weight of 301.33 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-phenyl-2-(1,3-thiazol-2-yl)pentan-2-ol is sourced from PubChem (CID 11822745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).