1-[4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]ethanamine

C11H12F3NS — CID 117199287

IUPAC1-[4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]ethanamine
SMILESCC(N)C1CSc2cccc(C(F)(F)F)c21
InChIInChI=1S/C11H12F3NS/c1-6(15)7-5-16-9-4-2-3-8(10(7)9)11(12,13)14/h2-4,6-7H,5,15H2,1H3
InChIKeyWCNAHTRQNPJMOG-UHFFFAOYSA-N
MW247.28 g/mol
LogP3.24
Rot. Bonds1

About 1-[4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]ethanamine

1-[4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]ethanamine (PubChem CID 117199287) has the molecular formula C11H12F3NS and a molecular weight of 247.28 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]ethanamine
PubChem CID117199287
Molecular FormulaC11H12F3NS
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Name1-[4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]ethanamine
SMILESCC(N)C1CSc2cccc(C(F)(F)F)c21
InChIInChI=1S/C11H12F3NS/c1-6(15)7-5-16-9-4-2-3-8(10(7)9)11(12,13)14/h2-4,6-7H,5,15H2,1H3
InChIKeyWCNAHTRQNPJMOG-UHFFFAOYSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 83909904
1-[2-chloro-3-(trifluoromethyl)phenyl]ethanamine
CID 78001930
5-(trifluoromethyl)-2,3-dihydro-1,4-benzodithiine
CID 175723777
1-N-methyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 63760135
1-[2-methyl-6-(trifluoromethyl)phenyl]ethanamine
CID 84671370
2-[4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-2-yl]propanoic acid
CID 117198055
(5,6-dimethyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 103345448
1-[2,6-bis(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 139965920
3-[2,6-bis(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 154791421
2-propan-2-yl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline
CID 123148647
1-chloro-N-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
CID 87065451
(1S,2R)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 118021056

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]ethanamine?
The IUPAC name of 1-[4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]ethanamine (CID 117199287) is 1-[4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]ethanamine.
What is the SMILES notation for 1-[4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]ethanamine?
The canonical SMILES for 1-[4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]ethanamine is CC(N)C1CSc2cccc(C(F)(F)F)c21.
What is the InChIKey of 1-[4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]ethanamine?
The InChIKey is WCNAHTRQNPJMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NS/c1-6(15)7-5-16-9-4-2-3-8(10(7)9)11(12,13)14/h2-4,6-7H,5,15H2,1H3.
What are the key properties of 1-[4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]ethanamine?
1-[4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]ethanamine has a molecular weight of 247.28 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]ethanamine is sourced from PubChem (CID 117199287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).