1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol

C8H9F3OS — CID 118634148

IUPAC1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol
SMILESCC(c1ccsc1)C(O)C(F)(F)F
InChIInChI=1S/C8H9F3OS/c1-5(6-2-3-13-4-6)7(12)8(9,10)11/h2-5,7,12H,1H3
InChIKeyURPDHPZQRADSKD-UHFFFAOYSA-N
MW210.22 g/mol
LogP2.77
Rot. Bonds2

About 1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol

1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol (PubChem CID 118634148) has the molecular formula C8H9F3OS and a molecular weight of 210.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol
PubChem CID118634148
Molecular FormulaC8H9F3OS
Molecular Weight210.22 g/mol
Exact Mass210.03
IUPAC Name1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol
SMILESCC(c1ccsc1)C(O)C(F)(F)F
InChIInChI=1S/C8H9F3OS/c1-5(6-2-3-13-4-6)7(12)8(9,10)11/h2-5,7,12H,1H3
InChIKeyURPDHPZQRADSKD-UHFFFAOYSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol (CID 118634148) is 1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol is CC(c1ccsc1)C(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol?
The InChIKey is URPDHPZQRADSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3OS/c1-5(6-2-3-13-4-6)7(12)8(9,10)11/h2-5,7,12H,1H3.
What are the key properties of 1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol?
1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol has a molecular weight of 210.22 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol is sourced from PubChem (CID 118634148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).