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

C7H7F3OS — CID 62961525

IUPAC1,1,1-trifluoro-3-thiophen-3-ylpropan-2-ol
SMILESOC(Cc1ccsc1)C(F)(F)F
InChIInChI=1S/C7H7F3OS/c8-7(9,10)6(11)3-5-1-2-12-4-5/h1-2,4,6,11H,3H2
InChIKeySFQFYADRDYRMAA-UHFFFAOYSA-N
MW196.19 g/mol
LogP2.21
Rot. Bonds2

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

1,1,1-trifluoro-3-thiophen-3-ylpropan-2-ol (PubChem CID 62961525) has the molecular formula C7H7F3OS and a molecular weight of 196.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-thiophen-3-ylpropan-2-ol
PubChem CID62961525
Molecular FormulaC7H7F3OS
Molecular Weight196.19 g/mol
Exact Mass196.02
IUPAC Name1,1,1-trifluoro-3-thiophen-3-ylpropan-2-ol
SMILESOC(Cc1ccsc1)C(F)(F)F
InChIInChI=1S/C7H7F3OS/c8-7(9,10)6(11)3-5-1-2-12-4-5/h1-2,4,6,11H,3H2
InChIKeySFQFYADRDYRMAA-UHFFFAOYSA-N
XLogP2.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 52.21
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-ylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-ol (CID 62961525) is 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-ol is OC(Cc1ccsc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-ol?
The InChIKey is SFQFYADRDYRMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3OS/c8-7(9,10)6(11)3-5-1-2-12-4-5/h1-2,4,6,11H,3H2.
What are the key properties of 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-ol?
1,1,1-trifluoro-3-thiophen-3-ylpropan-2-ol has a molecular weight of 196.19 g/mol, XLogP of 2.21, 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-ylpropan-2-ol is sourced from PubChem (CID 62961525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).