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

C9H12F3NOS — CID 63081208

IUPAC3-amino-1,1,1-trifluoro-2-thiophen-2-ylpentan-2-ol
SMILESCCC(N)C(O)(c1cccs1)C(F)(F)F
InChIInChI=1S/C9H12F3NOS/c1-2-6(13)8(14,9(10,11)12)7-4-3-5-15-7/h3-6,14H,2,13H2,1H3
InChIKeyPLDGHWSDAKNDGN-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.24
Rot. Bonds3

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

3-amino-1,1,1-trifluoro-2-thiophen-2-ylpentan-2-ol (PubChem CID 63081208) 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-thiophen-2-ylpentan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-thiophen-2-ylpentan-2-ol
PubChem CID63081208
Molecular FormulaC9H12F3NOS
Molecular Weight239.26 g/mol
Exact Mass239.06
IUPAC Name3-amino-1,1,1-trifluoro-2-thiophen-2-ylpentan-2-ol
SMILESCCC(N)C(O)(c1cccs1)C(F)(F)F
InChIInChI=1S/C9H12F3NOS/c1-2-6(13)8(14,9(10,11)12)7-4-3-5-15-7/h3-6,14H,2,13H2,1H3
InChIKeyPLDGHWSDAKNDGN-UHFFFAOYSA-N
XLogP2.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.24
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-ylpentan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-thiophen-2-ylpentan-2-ol (CID 63081208) is 3-amino-1,1,1-trifluoro-2-thiophen-2-ylpentan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-thiophen-2-ylpentan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-thiophen-2-ylpentan-2-ol is CCC(N)C(O)(c1cccs1)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-thiophen-2-ylpentan-2-ol?
The InChIKey is PLDGHWSDAKNDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NOS/c1-2-6(13)8(14,9(10,11)12)7-4-3-5-15-7/h3-6,14H,2,13H2,1H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-thiophen-2-ylpentan-2-ol?
3-amino-1,1,1-trifluoro-2-thiophen-2-ylpentan-2-ol has a molecular weight of 239.26 g/mol, XLogP of 2.24, 3 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-ylpentan-2-ol is sourced from PubChem (CID 63081208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).