N-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine

C16H14F3NS — CID 78993378

IUPACN-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine
SMILESFC(F)(F)c1ccc(CNC2CSc3ccccc32)cc1
InChIInChI=1S/C16H14F3NS/c17-16(18,19)12-7-5-11(6-8-12)9-20-14-10-21-15-4-2-1-3-13(14)15/h1-8,14,20H,9-10H2
InChIKeyQAEZBWYTATYTHC-UHFFFAOYSA-N
MW309.36 g/mol
LogP4.64
Rot. Bonds3

About N-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine

N-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 78993378) has the molecular formula C16H14F3NS and a molecular weight of 309.36 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID78993378
Molecular FormulaC16H14F3NS
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC NameN-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine
SMILESFC(F)(F)c1ccc(CNC2CSc3ccccc32)cc1
InChIInChI=1S/C16H14F3NS/c17-16(18,19)12-7-5-11(6-8-12)9-20-14-10-21-15-4-2-1-3-13(14)15/h1-8,14,20H,9-10H2
InChIKeyQAEZBWYTATYTHC-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine (CID 78993378) is N-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine is FC(F)(F)c1ccc(CNC2CSc3ccccc32)cc1.
What is the InChIKey of N-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is QAEZBWYTATYTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NS/c17-16(18,19)12-7-5-11(6-8-12)9-20-14-10-21-15-4-2-1-3-13(14)15/h1-8,14,20H,9-10H2.
What are the key properties of N-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine?
N-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 309.36 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 78993378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).