(3S)-3-(trifluoromethyl)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol

C9H8F6N2OS — CID 99859296

IUPAC(3S)-3-(trifluoromethyl)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol
SMILESO[C@@]1(C(F)(F)F)CCN(c2ncc(C(F)(F)F)s2)C1
InChIInChI=1S/C9H8F6N2OS/c10-8(11,12)5-3-16-6(19-5)17-2-1-7(18,4-17)9(13,14)15/h3,18H,1-2,4H2/t7-/m0/s1
InChIKeyKMKVFFFCEVULCO-ZETCQYMHSA-N
MW306.23 g/mol
LogP2.67
Rot. Bonds1

About (3S)-3-(trifluoromethyl)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol

(3S)-3-(trifluoromethyl)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol (PubChem CID 99859296) has the molecular formula C9H8F6N2OS and a molecular weight of 306.23 g/mol. Its IUPAC name is (3S)-3-(trifluoromethyl)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-3-(trifluoromethyl)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol
PubChem CID99859296
Molecular FormulaC9H8F6N2OS
Molecular Weight306.23 g/mol
Exact Mass306.03
IUPAC Name(3S)-3-(trifluoromethyl)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol
SMILESO[C@@]1(C(F)(F)F)CCN(c2ncc(C(F)(F)F)s2)C1
InChIInChI=1S/C9H8F6N2OS/c10-8(11,12)5-3-16-6(19-5)17-2-1-7(18,4-17)9(13,14)15/h3,18H,1-2,4H2/t7-/m0/s1
InChIKeyKMKVFFFCEVULCO-ZETCQYMHSA-N
XLogP2.67
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-3-(trifluoromethyl)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(trifluoromethyl)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol?
The IUPAC name of (3S)-3-(trifluoromethyl)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol (CID 99859296) is (3S)-3-(trifluoromethyl)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-3-(trifluoromethyl)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-3-(trifluoromethyl)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol is O[C@@]1(C(F)(F)F)CCN(c2ncc(C(F)(F)F)s2)C1.
What is the InChIKey of (3S)-3-(trifluoromethyl)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol?
The InChIKey is KMKVFFFCEVULCO-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H8F6N2OS/c10-8(11,12)5-3-16-6(19-5)17-2-1-7(18,4-17)9(13,14)15/h3,18H,1-2,4H2/t7-/m0/s1.
What are the key properties of (3S)-3-(trifluoromethyl)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol?
(3S)-3-(trifluoromethyl)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol has a molecular weight of 306.23 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(trifluoromethyl)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 99859296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).