(1R)-3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-ol

C8H10F3NOS — CID 96888684

IUPAC(1R)-3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-ol
SMILESNCC[C@@H](O)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C8H10F3NOS/c9-8(10,11)7-2-1-6(14-7)5(13)3-4-12/h1-2,5,13H,3-4,12H2/t5-/m1/s1
InChIKeyFJYGNBHFQPVPEO-RXMQYKEDSA-N
MW225.23 g/mol
LogP2.15
Rot. Bonds3

About (1R)-3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-ol

(1R)-3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-ol (PubChem CID 96888684) has the molecular formula C8H10F3NOS and a molecular weight of 225.23 g/mol. Its IUPAC name is (1R)-3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-ol.

Molecular Properties

Compound Name(1R)-3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-ol
PubChem CID96888684
Molecular FormulaC8H10F3NOS
Molecular Weight225.23 g/mol
Exact Mass225.04
IUPAC Name(1R)-3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-ol
SMILESNCC[C@@H](O)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C8H10F3NOS/c9-8(10,11)7-2-1-6(14-7)5(13)3-4-12/h1-2,5,13H,3-4,12H2/t5-/m1/s1
InChIKeyFJYGNBHFQPVPEO-RXMQYKEDSA-N
XLogP2.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-ol?
The IUPAC name of (1R)-3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-ol (CID 96888684) is (1R)-3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-ol.
What is the SMILES notation for (1R)-3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-ol?
The canonical SMILES for (1R)-3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-ol is NCC[C@@H](O)c1ccc(C(F)(F)F)s1.
What is the InChIKey of (1R)-3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-ol?
The InChIKey is FJYGNBHFQPVPEO-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10F3NOS/c9-8(10,11)7-2-1-6(14-7)5(13)3-4-12/h1-2,5,13H,3-4,12H2/t5-/m1/s1.
What are the key properties of (1R)-3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-ol?
(1R)-3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-ol has a molecular weight of 225.23 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-ol is sourced from PubChem (CID 96888684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).