3-amino-2-(3-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol

C8H9ClF3NOS — CID 107360733

IUPAC3-amino-2-(3-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol
SMILESCC(N)C(O)(c1sccc1Cl)C(F)(F)F
InChIInChI=1S/C8H9ClF3NOS/c1-4(13)7(14,8(10,11)12)6-5(9)2-3-15-6/h2-4,14H,13H2,1H3
InChIKeyAWERJEFZBKGNOU-UHFFFAOYSA-N
MW259.68 g/mol
LogP2.50
Rot. Bonds2

About 3-amino-2-(3-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol

3-amino-2-(3-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol (PubChem CID 107360733) has the molecular formula C8H9ClF3NOS and a molecular weight of 259.68 g/mol. Its IUPAC name is 3-amino-2-(3-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol.

Molecular Properties

Compound Name3-amino-2-(3-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol
PubChem CID107360733
Molecular FormulaC8H9ClF3NOS
Molecular Weight259.68 g/mol
Exact Mass259.00
IUPAC Name3-amino-2-(3-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol
SMILESCC(N)C(O)(c1sccc1Cl)C(F)(F)F
InChIInChI=1S/C8H9ClF3NOS/c1-4(13)7(14,8(10,11)12)6-5(9)2-3-15-6/h2-4,14H,13H2,1H3
InChIKeyAWERJEFZBKGNOU-UHFFFAOYSA-N
XLogP2.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.68
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol?
The IUPAC name of 3-amino-2-(3-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol (CID 107360733) is 3-amino-2-(3-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol.
What is the SMILES notation for 3-amino-2-(3-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol?
The canonical SMILES for 3-amino-2-(3-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol is CC(N)C(O)(c1sccc1Cl)C(F)(F)F.
What is the InChIKey of 3-amino-2-(3-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol?
The InChIKey is AWERJEFZBKGNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3NOS/c1-4(13)7(14,8(10,11)12)6-5(9)2-3-15-6/h2-4,14H,13H2,1H3.
What are the key properties of 3-amino-2-(3-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol?
3-amino-2-(3-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol has a molecular weight of 259.68 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol is sourced from PubChem (CID 107360733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).