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

C8H10F3NOS — CID 63081207

IUPAC3-amino-1,1,1-trifluoro-2-thiophen-2-ylbutan-2-ol
SMILESCC(N)C(O)(c1cccs1)C(F)(F)F
InChIInChI=1S/C8H10F3NOS/c1-5(12)7(13,8(9,10)11)6-3-2-4-14-6/h2-5,13H,12H2,1H3
InChIKeyJFIOZUGCCHYSOP-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.85
Rot. Bonds2

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

3-amino-1,1,1-trifluoro-2-thiophen-2-ylbutan-2-ol (PubChem CID 63081207) has the molecular formula C8H10F3NOS and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-thiophen-2-ylbutan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-thiophen-2-ylbutan-2-ol
PubChem CID63081207
Molecular FormulaC8H10F3NOS
Molecular Weight225.24 g/mol
Exact Mass225.04
IUPAC Name3-amino-1,1,1-trifluoro-2-thiophen-2-ylbutan-2-ol
SMILESCC(N)C(O)(c1cccs1)C(F)(F)F
InChIInChI=1S/C8H10F3NOS/c1-5(12)7(13,8(9,10)11)6-3-2-4-14-6/h2-5,13H,12H2,1H3
InChIKeyJFIOZUGCCHYSOP-UHFFFAOYSA-N
XLogP1.85
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-thiophen-2-ylbutan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-thiophen-2-ylbutan-2-ol (CID 63081207) is 3-amino-1,1,1-trifluoro-2-thiophen-2-ylbutan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-thiophen-2-ylbutan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-thiophen-2-ylbutan-2-ol is CC(N)C(O)(c1cccs1)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-thiophen-2-ylbutan-2-ol?
The InChIKey is JFIOZUGCCHYSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NOS/c1-5(12)7(13,8(9,10)11)6-3-2-4-14-6/h2-5,13H,12H2,1H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-thiophen-2-ylbutan-2-ol?
3-amino-1,1,1-trifluoro-2-thiophen-2-ylbutan-2-ol has a molecular weight of 225.24 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-thiophen-2-ylbutan-2-ol is sourced from PubChem (CID 63081207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).