1,1,1-trifluoro-3-[(3-methoxythiophen-2-yl)methylamino]propan-2-ol

C9H12F3NO2S — CID 115710569

IUPAC1,1,1-trifluoro-3-[(3-methoxythiophen-2-yl)methylamino]propan-2-ol
SMILESCOc1ccsc1CNCC(O)C(F)(F)F
InChIInChI=1S/C9H12F3NO2S/c1-15-6-2-3-16-7(6)4-13-5-8(14)9(10,11)12/h2-3,8,13-14H,4-5H2,1H3
InChIKeySSLPYNHHZICUTB-UHFFFAOYSA-N
MW255.26 g/mol
LogP1.77
Rot. Bonds5

About 1,1,1-trifluoro-3-[(3-methoxythiophen-2-yl)methylamino]propan-2-ol

1,1,1-trifluoro-3-[(3-methoxythiophen-2-yl)methylamino]propan-2-ol (PubChem CID 115710569) has the molecular formula C9H12F3NO2S and a molecular weight of 255.26 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(3-methoxythiophen-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(3-methoxythiophen-2-yl)methylamino]propan-2-ol
PubChem CID115710569
Molecular FormulaC9H12F3NO2S
Molecular Weight255.26 g/mol
Exact Mass255.05
IUPAC Name1,1,1-trifluoro-3-[(3-methoxythiophen-2-yl)methylamino]propan-2-ol
SMILESCOc1ccsc1CNCC(O)C(F)(F)F
InChIInChI=1S/C9H12F3NO2S/c1-15-6-2-3-16-7(6)4-13-5-8(14)9(10,11)12/h2-3,8,13-14H,4-5H2,1H3
InChIKeySSLPYNHHZICUTB-UHFFFAOYSA-N
XLogP1.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,1,1-trifluoro-3-[(3-methoxythiophen-2-yl)methylamino]propan-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

1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 43811050
1-[3-(difluoromethoxy)thiophen-2-yl]-N-methylmethanamine
CID 138478526
3-(Trifluoromethyl)-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine
CID 156238504
2,2,2-trifluoro-N-[(3-methoxythiophen-2-yl)methyl]ethanamine
CID 63333195
2,2,2-trifluoro-N-[(4-methoxythiophen-2-yl)methyl]ethanamine
CID 81122011
N-(3,3-difluoro-2-hydroxypropyl)-3-methoxythiophene-2-carboxamide
CID 103770034
4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)-N-propylbutan-1-amine
CID 104992723
4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine
CID 104992724
N-ethyl-4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)butan-1-amine
CID 104992956
5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)-N-propylpentan-1-amine
CID 105023996
3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide
CID 111433716
3-(difluoromethoxy)-N-(2-hydroxypentyl)thiophene-2-carboxamide
CID 112294398

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(3-methoxythiophen-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(3-methoxythiophen-2-yl)methylamino]propan-2-ol (CID 115710569) is 1,1,1-trifluoro-3-[(3-methoxythiophen-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(3-methoxythiophen-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(3-methoxythiophen-2-yl)methylamino]propan-2-ol is COc1ccsc1CNCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[(3-methoxythiophen-2-yl)methylamino]propan-2-ol?
The InChIKey is SSLPYNHHZICUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2S/c1-15-6-2-3-16-7(6)4-13-5-8(14)9(10,11)12/h2-3,8,13-14H,4-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[(3-methoxythiophen-2-yl)methylamino]propan-2-ol?
1,1,1-trifluoro-3-[(3-methoxythiophen-2-yl)methylamino]propan-2-ol has a molecular weight of 255.26 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(3-methoxythiophen-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 115710569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).