4-amino-1,1,1-trifluoro-3-thiophen-2-ylbutan-2-ol

C8H10F3NOS — CID 65190404

IUPAC4-amino-1,1,1-trifluoro-3-thiophen-2-ylbutan-2-ol
SMILESNCC(c1cccs1)C(O)C(F)(F)F
InChIInChI=1S/C8H10F3NOS/c9-8(10,11)7(13)5(4-12)6-2-1-3-14-6/h1-3,5,7,13H,4,12H2
InChIKeyCIGJXYGWJZXSNP-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.71
Rot. Bonds3

About 4-amino-1,1,1-trifluoro-3-thiophen-2-ylbutan-2-ol

4-amino-1,1,1-trifluoro-3-thiophen-2-ylbutan-2-ol (PubChem CID 65190404) has the molecular formula C8H10F3NOS and a molecular weight of 225.24 g/mol. Its IUPAC name is 4-amino-1,1,1-trifluoro-3-thiophen-2-ylbutan-2-ol.

Molecular Properties

Compound Name4-amino-1,1,1-trifluoro-3-thiophen-2-ylbutan-2-ol
PubChem CID65190404
Molecular FormulaC8H10F3NOS
Molecular Weight225.24 g/mol
Exact Mass225.04
IUPAC Name4-amino-1,1,1-trifluoro-3-thiophen-2-ylbutan-2-ol
SMILESNCC(c1cccs1)C(O)C(F)(F)F
InChIInChI=1S/C8H10F3NOS/c9-8(10,11)7(13)5(4-12)6-2-1-3-14-6/h1-3,5,7,13H,4,12H2
InChIKeyCIGJXYGWJZXSNP-UHFFFAOYSA-N
XLogP1.71
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-2-fluoro-1-thiophen-2-ylpropan-1-ol
CID 59769547
(2S)-2-amino-2-[5-(difluoromethyl)thiophen-3-yl]ethanol
CID 55275402
2-Amino-2-[5-(difluoromethyl)thiophen-3-yl]ethanol
CID 55296160
1-Amino-2-(4-fluorophenyl)-6-thiophen-2-ylhexan-3-ol
CID 65185328
1-Amino-2-(2-fluorophenyl)-6-thiophen-2-ylhexan-3-ol
CID 65185921
1-Amino-2-(2,4-difluorophenyl)-6-thiophen-2-ylhexan-3-ol
CID 65189339
3-Amino-2-(2,4-difluorophenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189385
3-Amino-2-(3,5-difluorophenyl)-1-thiophen-3-ylpropan-1-ol
CID 65189427
3-Amino-2-(2,4-difluorophenyl)-1-thiophen-3-ylpropan-1-ol
CID 65189721
1-Amino-2-(3,5-difluorophenyl)-6-thiophen-2-ylhexan-3-ol
CID 65189810
3-Amino-2-(3,5-difluorophenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189904
3-Amino-1-(2,6-difluorophenyl)-2-thiophen-2-ylpropan-1-ol
CID 65189992

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,1,1-trifluoro-3-thiophen-2-ylbutan-2-ol?
The IUPAC name of 4-amino-1,1,1-trifluoro-3-thiophen-2-ylbutan-2-ol (CID 65190404) is 4-amino-1,1,1-trifluoro-3-thiophen-2-ylbutan-2-ol.
What is the SMILES notation for 4-amino-1,1,1-trifluoro-3-thiophen-2-ylbutan-2-ol?
The canonical SMILES for 4-amino-1,1,1-trifluoro-3-thiophen-2-ylbutan-2-ol is NCC(c1cccs1)C(O)C(F)(F)F.
What is the InChIKey of 4-amino-1,1,1-trifluoro-3-thiophen-2-ylbutan-2-ol?
The InChIKey is CIGJXYGWJZXSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NOS/c9-8(10,11)7(13)5(4-12)6-2-1-3-14-6/h1-3,5,7,13H,4,12H2.
What are the key properties of 4-amino-1,1,1-trifluoro-3-thiophen-2-ylbutan-2-ol?
4-amino-1,1,1-trifluoro-3-thiophen-2-ylbutan-2-ol has a molecular weight of 225.24 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,1,1-trifluoro-3-thiophen-2-ylbutan-2-ol is sourced from PubChem (CID 65190404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).