N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,2-difluoroethanamine

C11H13F2NS — CID 115406592

IUPACN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,2-difluoroethanamine
SMILESFC(F)CNCC1CSc2ccccc21
InChIInChI=1S/C11H13F2NS/c12-11(13)6-14-5-8-7-15-10-4-2-1-3-9(8)10/h1-4,8,11,14H,5-7H2
InChIKeyNNWBFAKSODNWOX-UHFFFAOYSA-N
MW229.29 g/mol
LogP2.73
Rot. Bonds4

About N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,2-difluoroethanamine

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,2-difluoroethanamine (PubChem CID 115406592) has the molecular formula C11H13F2NS and a molecular weight of 229.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,2-difluoroethanamine
PubChem CID115406592
Molecular FormulaC11H13F2NS
Molecular Weight229.29 g/mol
Exact Mass229.07
IUPAC NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,2-difluoroethanamine
SMILESFC(F)CNCC1CSc2ccccc21
InChIInChI=1S/C11H13F2NS/c12-11(13)6-14-5-8-7-15-10-4-2-1-3-9(8)10/h1-4,8,11,14H,5-7H2
InChIKeyNNWBFAKSODNWOX-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,2-difluoroethanamine 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

2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-1-amine
CID 79227011
1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 79220843
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-phenylpropan-1-amine
CID 104591357
1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine
CID 79213522
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methoxypropan-1-amine
CID 79226059
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,2-difluoroethanamine
CID 66396572
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine
CID 79212606
3-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-1-ol
CID 79220922
3-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)butan-1-amine
CID 79226615
2-cyclobutyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine
CID 113478802
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-5-methylhexan-1-amine
CID 113287462
2-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-N-ethylpropane-1,2-diamine
CID 113407264

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,2-difluoroethanamine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,2-difluoroethanamine (CID 115406592) is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,2-difluoroethanamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,2-difluoroethanamine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,2-difluoroethanamine is FC(F)CNCC1CSc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,2-difluoroethanamine?
The InChIKey is NNWBFAKSODNWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NS/c12-11(13)6-14-5-8-7-15-10-4-2-1-3-9(8)10/h1-4,8,11,14H,5-7H2.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,2-difluoroethanamine?
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,2-difluoroethanamine has a molecular weight of 229.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,2-difluoroethanamine is sourced from PubChem (CID 115406592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).