1-thiophen-3-yl-2-(4,4,4-trifluorobutylamino)ethanol

C10H14F3NOS — CID 106435115

IUPAC1-thiophen-3-yl-2-(4,4,4-trifluorobutylamino)ethanol
SMILESOC(CNCCCC(F)(F)F)c1ccsc1
InChIInChI=1S/C10H14F3NOS/c11-10(12,13)3-1-4-14-6-9(15)8-2-5-16-7-8/h2,5,7,9,14-15H,1,3-4,6H2
InChIKeyGGTQHTIZEKTPKK-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.71
Rot. Bonds6

About 1-thiophen-3-yl-2-(4,4,4-trifluorobutylamino)ethanol

1-thiophen-3-yl-2-(4,4,4-trifluorobutylamino)ethanol (PubChem CID 106435115) has the molecular formula C10H14F3NOS and a molecular weight of 253.29 g/mol. Its IUPAC name is 1-thiophen-3-yl-2-(4,4,4-trifluorobutylamino)ethanol.

Molecular Properties

Compound Name1-thiophen-3-yl-2-(4,4,4-trifluorobutylamino)ethanol
PubChem CID106435115
Molecular FormulaC10H14F3NOS
Molecular Weight253.29 g/mol
Exact Mass253.07
IUPAC Name1-thiophen-3-yl-2-(4,4,4-trifluorobutylamino)ethanol
SMILESOC(CNCCCC(F)(F)F)c1ccsc1
InChIInChI=1S/C10H14F3NOS/c11-10(12,13)3-1-4-14-6-9(15)8-2-5-16-7-8/h2,5,7,9,14-15H,1,3-4,6H2
InChIKeyGGTQHTIZEKTPKK-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol
CID 106434996
2-(2-fluoroethylamino)-1-thiophen-3-ylethanol
CID 106435014
4,4,4-trifluoro-1-thiophen-3-ylbutan-1-ol
CID 64565518
1-thiophen-3-yl-2-[2-(trifluoromethoxy)ethylamino]ethanol
CID 106435353
2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol
CID 106435161
(5,5,5-trifluoro-1-thiophen-3-ylpentyl)hydrazine
CID 105196769
1-[4-(2-methylpropyl)phenyl]-2-(4,4,4-trifluorobutylamino)ethanol
CID 115518399
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
1-(4-methylsulfonylphenyl)-2-(4,4,4-trifluorobutylamino)ethanol
CID 115518341
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide
CID 106435072
methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate
CID 106435089
1-phenyl-2-(3,3,3-trifluoropropylamino)ethanol
CID 60689484

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yl-2-(4,4,4-trifluorobutylamino)ethanol?
The IUPAC name of 1-thiophen-3-yl-2-(4,4,4-trifluorobutylamino)ethanol (CID 106435115) is 1-thiophen-3-yl-2-(4,4,4-trifluorobutylamino)ethanol.
What is the SMILES notation for 1-thiophen-3-yl-2-(4,4,4-trifluorobutylamino)ethanol?
The canonical SMILES for 1-thiophen-3-yl-2-(4,4,4-trifluorobutylamino)ethanol is OC(CNCCCC(F)(F)F)c1ccsc1.
What is the InChIKey of 1-thiophen-3-yl-2-(4,4,4-trifluorobutylamino)ethanol?
The InChIKey is GGTQHTIZEKTPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NOS/c11-10(12,13)3-1-4-14-6-9(15)8-2-5-16-7-8/h2,5,7,9,14-15H,1,3-4,6H2.
What are the key properties of 1-thiophen-3-yl-2-(4,4,4-trifluorobutylamino)ethanol?
1-thiophen-3-yl-2-(4,4,4-trifluorobutylamino)ethanol has a molecular weight of 253.29 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-2-(4,4,4-trifluorobutylamino)ethanol is sourced from PubChem (CID 106435115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).