3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)butan-2-ol

C9H12F3NOS — CID 65099541

IUPAC3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)butan-2-ol
SMILESCc1cc(C(O)(C(C)N)C(F)(F)F)cs1
InChIInChI=1S/C9H12F3NOS/c1-5-3-7(4-15-5)8(14,6(2)13)9(10,11)12/h3-4,6,14H,13H2,1-2H3
InChIKeyLGYWVMQZYBYFTH-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.15
Rot. Bonds2

About 3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)butan-2-ol

3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)butan-2-ol (PubChem CID 65099541) has the molecular formula C9H12F3NOS and a molecular weight of 239.26 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)butan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)butan-2-ol
PubChem CID65099541
Molecular FormulaC9H12F3NOS
Molecular Weight239.26 g/mol
Exact Mass239.06
IUPAC Name3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)butan-2-ol
SMILESCc1cc(C(O)(C(C)N)C(F)(F)F)cs1
InChIInChI=1S/C9H12F3NOS/c1-5-3-7(4-15-5)8(14,6(2)13)9(10,11)12/h3-4,6,14H,13H2,1-2H3
InChIKeyLGYWVMQZYBYFTH-UHFFFAOYSA-N
XLogP2.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.15
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-(5-methylthiophen-3-yl)butan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)butan-2-ol (CID 65099541) is 3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)butan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)butan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)butan-2-ol is Cc1cc(C(O)(C(C)N)C(F)(F)F)cs1.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)butan-2-ol?
The InChIKey is LGYWVMQZYBYFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NOS/c1-5-3-7(4-15-5)8(14,6(2)13)9(10,11)12/h3-4,6,14H,13H2,1-2H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)butan-2-ol?
3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)butan-2-ol has a molecular weight of 239.26 g/mol, XLogP of 2.15, 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-(5-methylthiophen-3-yl)butan-2-ol is sourced from PubChem (CID 65099541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).