N-(2,2,2-trifluoroethyl)-1-benzothiophen-5-amine

C10H8F3NS — CID 65475860

IUPACN-(2,2,2-trifluoroethyl)-1-benzothiophen-5-amine
SMILESFC(F)(F)CNc1ccc2sccc2c1
InChIInChI=1S/C10H8F3NS/c11-10(12,13)6-14-8-1-2-9-7(5-8)3-4-15-9/h1-5,14H,6H2
InChIKeyRPBPLVSEUSMTJE-UHFFFAOYSA-N
MW231.24 g/mol
LogP3.88
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)-1-benzothiophen-5-amine

N-(2,2,2-trifluoroethyl)-1-benzothiophen-5-amine (PubChem CID 65475860) has the molecular formula C10H8F3NS and a molecular weight of 231.24 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-1-benzothiophen-5-amine
PubChem CID65475860
Molecular FormulaC10H8F3NS
Molecular Weight231.24 g/mol
Exact Mass231.03
IUPAC NameN-(2,2,2-trifluoroethyl)-1-benzothiophen-5-amine
SMILESFC(F)(F)CNc1ccc2sccc2c1
InChIInChI=1S/C10H8F3NS/c11-10(12,13)6-14-8-1-2-9-7(5-8)3-4-15-9/h1-5,14H,6H2
InChIKeyRPBPLVSEUSMTJE-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-benzothiophen-5-amine
CID 112589195
N-(1-benzothiophen-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114525182
2-(1-benzothiophen-5-ylamino)ethanesulfonamide
CID 114385062
N-(4-methylpentyl)-1-benzothiophen-5-amine
CID 83156262
(2R)-1-(1-benzothiophen-5-ylamino)propan-2-ol
CID 106932216
N-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine
CID 43687735
N-(3-phenylpropyl)-1-benzothiophen-5-amine
CID 43687656
ethyl 3-(1-benzothiophen-5-ylamino)propanoate
CID 65474309
N-(3-phenylprop-2-enyl)-1-benzothiophen-5-amine
CID 77070203
N-[2-(2-methoxyethoxy)ethyl]-1-benzothiophen-5-amine
CID 65473732
N-(cyclobutylmethyl)-1-benzothiophen-5-amine
CID 65457353
4-[(1-benzothiophen-5-ylamino)methyl]phenol
CID 43687694

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-1-benzothiophen-5-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-1-benzothiophen-5-amine (CID 65475860) is N-(2,2,2-trifluoroethyl)-1-benzothiophen-5-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-1-benzothiophen-5-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-1-benzothiophen-5-amine is FC(F)(F)CNc1ccc2sccc2c1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-1-benzothiophen-5-amine?
The InChIKey is RPBPLVSEUSMTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NS/c11-10(12,13)6-14-8-1-2-9-7(5-8)3-4-15-9/h1-5,14H,6H2.
What are the key properties of N-(2,2,2-trifluoroethyl)-1-benzothiophen-5-amine?
N-(2,2,2-trifluoroethyl)-1-benzothiophen-5-amine has a molecular weight of 231.24 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-1-benzothiophen-5-amine is sourced from PubChem (CID 65475860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).