1-(1-benzothiophen-3-yl)-1,1-difluoropropan-2-amine

C11H11F2NS — CID 116839342

IUPAC1-(1-benzothiophen-3-yl)-1,1-difluoropropan-2-amine
SMILESCC(N)C(F)(F)c1csc2ccccc12
InChIInChI=1S/C11H11F2NS/c1-7(14)11(12,13)9-6-15-10-5-3-2-4-8(9)10/h2-7H,14H2,1H3
InChIKeyOTJBUDKWRNNEAO-UHFFFAOYSA-N
MW227.28 g/mol
LogP3.34
Rot. Bonds2

About 1-(1-benzothiophen-3-yl)-1,1-difluoropropan-2-amine

1-(1-benzothiophen-3-yl)-1,1-difluoropropan-2-amine (PubChem CID 116839342) has the molecular formula C11H11F2NS and a molecular weight of 227.28 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-1,1-difluoropropan-2-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-1,1-difluoropropan-2-amine
PubChem CID116839342
Molecular FormulaC11H11F2NS
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name1-(1-benzothiophen-3-yl)-1,1-difluoropropan-2-amine
SMILESCC(N)C(F)(F)c1csc2ccccc12
InChIInChI=1S/C11H11F2NS/c1-7(14)11(12,13)9-6-15-10-5-3-2-4-8(9)10/h2-7H,14H2,1H3
InChIKeyOTJBUDKWRNNEAO-UHFFFAOYSA-N
XLogP3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,1-difluoro-2-methylpropyl)-1-benzothiophene
CID 116841490
3-(1,1-difluoroethyl)-1-benzothiophene;ethane
CID 154677348
3-(1,1,2,2,2-pentafluoroethyl)-1-benzothiophene
CID 102259233
1,1-difluoro-1-naphthalen-1-ylpropan-2-amine
CID 116839348
2-(1-benzothiophen-3-yl)-2,2-difluoroethanol
CID 67815156
1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine
CID 43150910
1-benzothiophen-3-yl(chloro)methanamine
CID 116947843
(1S)-1-(1-benzothiophen-3-yl)-4,4,4-trifluorobutan-1-amine
CID 171224591
4-(1-benzothiophen-3-yl)-4,4-difluoro-2,2-dimethylbutanoic acid
CID 65297334
3-(2-iodopentan-2-yl)-1-benzothiophene
CID 146406254
1-(1-benzothiophen-3-yl)-3,4,4-trimethylpentan-1-amine
CID 63833767
(3R)-3-amino-3-(1-benzothiophen-3-yl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171241342

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-1,1-difluoropropan-2-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-1,1-difluoropropan-2-amine (CID 116839342) is 1-(1-benzothiophen-3-yl)-1,1-difluoropropan-2-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-1,1-difluoropropan-2-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-1,1-difluoropropan-2-amine is CC(N)C(F)(F)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-1,1-difluoropropan-2-amine?
The InChIKey is OTJBUDKWRNNEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NS/c1-7(14)11(12,13)9-6-15-10-5-3-2-4-8(9)10/h2-7H,14H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-1,1-difluoropropan-2-amine?
1-(1-benzothiophen-3-yl)-1,1-difluoropropan-2-amine has a molecular weight of 227.28 g/mol, XLogP of 3.34, 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-difluoropropan-2-amine is sourced from PubChem (CID 116839342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).