1-(1-benzothiophen-3-yl)-1,1-difluoro-2-methylpropan-2-amine

C12H13F2NS — CID 116839467

IUPAC1-(1-benzothiophen-3-yl)-1,1-difluoro-2-methylpropan-2-amine
SMILESCC(C)(N)C(F)(F)c1csc2ccccc12
InChIInChI=1S/C12H13F2NS/c1-11(2,15)12(13,14)9-7-16-10-6-4-3-5-8(9)10/h3-7H,15H2,1-2H3
InChIKeyFIFZEEZJQCKWIS-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.73
Rot. Bonds2

About 1-(1-benzothiophen-3-yl)-1,1-difluoro-2-methylpropan-2-amine

1-(1-benzothiophen-3-yl)-1,1-difluoro-2-methylpropan-2-amine (PubChem CID 116839467) has the molecular formula C12H13F2NS and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-1,1-difluoro-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-1,1-difluoro-2-methylpropan-2-amine
PubChem CID116839467
Molecular FormulaC12H13F2NS
Molecular Weight241.31 g/mol
Exact Mass241.07
IUPAC Name1-(1-benzothiophen-3-yl)-1,1-difluoro-2-methylpropan-2-amine
SMILESCC(C)(N)C(F)(F)c1csc2ccccc12
InChIInChI=1S/C12H13F2NS/c1-11(2,15)12(13,14)9-7-16-10-6-4-3-5-8(9)10/h3-7H,15H2,1-2H3
InChIKeyFIFZEEZJQCKWIS-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzothiophen-3-yl)-1,1-difluoro-2-methylpropan-2-amine 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

Benzo(B)Thiophen-3-Ylmethylamine
CID 2776347
1-(1-Benzothiophen-2-yl)cyclohexan-1-amine
CID 398415
1-Benzo[b]thiophen-2-yl-cycloheptylamine
CID 398365
Benzo[b]thiophene-3-ethanamine
CID 26743
1-(1-Benzothiophen-2-yl)cyclopentan-1-amine
CID 398376
Benzo(b)thiophene-3-ethylamine, hydrochloride
CID 209554
2-(1-Benzothiophen-2-yl)ethan-1-amine
CID 12666893
5-Fluoro-2-phenylbenzo[b]thiophene-3-ethanamine
CID 12412187
Benzo(b)thiophene-3-ethylamine, N,N-dimethyl-
CID 25118
Benzo(b)thiophene-3-ethylamine, N-methyl-
CID 40599
Benzo(b)thiophene-3-ethylamine, 5-methyl-, hydrochloride
CID 210010
5-Fluoro-3-methyl-benzo[b]thiophene
CID 596828

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-1,1-difluoro-2-methylpropan-2-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-1,1-difluoro-2-methylpropan-2-amine (CID 116839467) is 1-(1-benzothiophen-3-yl)-1,1-difluoro-2-methylpropan-2-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-1,1-difluoro-2-methylpropan-2-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-1,1-difluoro-2-methylpropan-2-amine is CC(C)(N)C(F)(F)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-1,1-difluoro-2-methylpropan-2-amine?
The InChIKey is FIFZEEZJQCKWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NS/c1-11(2,15)12(13,14)9-7-16-10-6-4-3-5-8(9)10/h3-7H,15H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-1,1-difluoro-2-methylpropan-2-amine?
1-(1-benzothiophen-3-yl)-1,1-difluoro-2-methylpropan-2-amine has a molecular weight of 241.31 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-1,1-difluoro-2-methylpropan-2-amine is sourced from PubChem (CID 116839467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).