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

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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).