4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-ol

C8H7F6NOS — CID 103312621

IUPAC4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-ol
SMILESOC(Cc1cncs1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F6NOS/c9-7(10,11)6(8(12,13)14)5(16)1-4-2-15-3-17-4/h2-3,5-6,16H,1H2
InChIKeyZMDBWWKRDCKUQD-UHFFFAOYSA-N
MW279.20 g/mol
LogP2.79
Rot. Bonds3

About 4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-ol

4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-ol (PubChem CID 103312621) has the molecular formula C8H7F6NOS and a molecular weight of 279.20 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-ol
PubChem CID103312621
Molecular FormulaC8H7F6NOS
Molecular Weight279.20 g/mol
Exact Mass279.02
IUPAC Name4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-ol
SMILESOC(Cc1cncs1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F6NOS/c9-7(10,11)6(8(12,13)14)5(16)1-4-2-15-3-17-4/h2-3,5-6,16H,1H2
InChIKeyZMDBWWKRDCKUQD-UHFFFAOYSA-N
XLogP2.79
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.20
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-ol?
The IUPAC name of 4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-ol (CID 103312621) is 4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-ol?
The canonical SMILES for 4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-ol is OC(Cc1cncs1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-ol?
The InChIKey is ZMDBWWKRDCKUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F6NOS/c9-7(10,11)6(8(12,13)14)5(16)1-4-2-15-3-17-4/h2-3,5-6,16H,1H2.
What are the key properties of 4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-ol?
4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-ol has a molecular weight of 279.20 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 103312621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).