3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluorobutan-2-ol

C8H9BrF3NOS — CID 79602805

IUPAC3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluorobutan-2-ol
SMILESCC(N)C(O)(c1cscc1Br)C(F)(F)F
InChIInChI=1S/C8H9BrF3NOS/c1-4(13)7(14,8(10,11)12)5-2-15-3-6(5)9/h2-4,14H,13H2,1H3
InChIKeyJCQYHXVNWNTRKF-UHFFFAOYSA-N
MW304.13 g/mol
LogP2.61
Rot. Bonds2

About 3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluorobutan-2-ol

3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluorobutan-2-ol (PubChem CID 79602805) has the molecular formula C8H9BrF3NOS and a molecular weight of 304.13 g/mol. Its IUPAC name is 3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluorobutan-2-ol.

Molecular Properties

Compound Name3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluorobutan-2-ol
PubChem CID79602805
Molecular FormulaC8H9BrF3NOS
Molecular Weight304.13 g/mol
Exact Mass302.95
IUPAC Name3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluorobutan-2-ol
SMILESCC(N)C(O)(c1cscc1Br)C(F)(F)F
InChIInChI=1S/C8H9BrF3NOS/c1-4(13)7(14,8(10,11)12)5-2-15-3-6(5)9/h2-4,14H,13H2,1H3
InChIKeyJCQYHXVNWNTRKF-UHFFFAOYSA-N
XLogP2.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluorobutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Amino-1,1,1-trifluoro-2-thiophen-3-ylpentan-2-ol
CID 65099483
3-Amino-1,1,1-trifluoro-2-thiophen-3-ylbutan-2-ol
CID 65099484
3-Amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluoropentan-2-ol
CID 79602703
3-Amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluoropropan-2-ol
CID 79602704
3-Amino-2-(3-bromothiophen-2-yl)-1,1,1-trifluorobutan-2-ol
CID 80475153
3-Amino-2-(3-bromothiophen-2-yl)-1,1,1-trifluoropentan-2-ol
CID 80475154
4-(Propan-2-ylamino)-2-[4-(trifluoromethyl)thiophen-3-yl]butan-2-ol
CID 112745651
2-Amino-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol
CID 164658424
2-(4-Bromothiophen-3-yl)-4-(2-methylpropylamino)butan-2-ol
CID 79601292
1-Amino-2-(4-bromothiophen-3-yl)propan-2-ol
CID 79601389
2-(4-Bromothiophen-3-yl)-1-(methylamino)propan-2-ol
CID 79601390
2-(4-Bromothiophen-3-yl)-1-(ethylamino)propan-2-ol
CID 79601487

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluorobutan-2-ol?
The IUPAC name of 3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluorobutan-2-ol (CID 79602805) is 3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluorobutan-2-ol.
What is the SMILES notation for 3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluorobutan-2-ol?
The canonical SMILES for 3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluorobutan-2-ol is CC(N)C(O)(c1cscc1Br)C(F)(F)F.
What is the InChIKey of 3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluorobutan-2-ol?
The InChIKey is JCQYHXVNWNTRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF3NOS/c1-4(13)7(14,8(10,11)12)5-2-15-3-6(5)9/h2-4,14H,13H2,1H3.
What are the key properties of 3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluorobutan-2-ol?
3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluorobutan-2-ol has a molecular weight of 304.13 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-bromothiophen-3-yl)-1,1,1-trifluorobutan-2-ol is sourced from PubChem (CID 79602805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).