N-[3,5-bis(trifluoromethyl)phenyl]-1-benzothiophen-3-amine

C16H9F6NS — CID 156784972

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-1-benzothiophen-3-amine
SMILESFC(F)(F)c1cc(Nc2csc3ccccc23)cc(C(F)(F)F)c1
InChIInChI=1S/C16H9F6NS/c17-15(18,19)9-5-10(16(20,21)22)7-11(6-9)23-13-8-24-14-4-2-1-3-12(13)14/h1-8,23H
InChIKeyMWGWTIHYZXITAE-UHFFFAOYSA-N
MW361.31 g/mol
LogP6.68
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]-1-benzothiophen-3-amine

N-[3,5-bis(trifluoromethyl)phenyl]-1-benzothiophen-3-amine (PubChem CID 156784972) has the molecular formula C16H9F6NS and a molecular weight of 361.31 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-1-benzothiophen-3-amine
PubChem CID156784972
Molecular FormulaC16H9F6NS
Molecular Weight361.31 g/mol
Exact Mass361.04
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-1-benzothiophen-3-amine
SMILESFC(F)(F)c1cc(Nc2csc3ccccc23)cc(C(F)(F)F)c1
InChIInChI=1S/C16H9F6NS/c17-15(18,19)9-5-10(16(20,21)22)7-11(6-9)23-13-8-24-14-4-2-1-3-12(13)14/h1-8,23H
InChIKeyMWGWTIHYZXITAE-UHFFFAOYSA-N
XLogP6.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.31
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-1-benzothiophen-3-amine?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-1-benzothiophen-3-amine (CID 156784972) is N-[3,5-bis(trifluoromethyl)phenyl]-1-benzothiophen-3-amine.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-1-benzothiophen-3-amine?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-1-benzothiophen-3-amine is FC(F)(F)c1cc(Nc2csc3ccccc23)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-1-benzothiophen-3-amine?
The InChIKey is MWGWTIHYZXITAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F6NS/c17-15(18,19)9-5-10(16(20,21)22)7-11(6-9)23-13-8-24-14-4-2-1-3-12(13)14/h1-8,23H.
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-1-benzothiophen-3-amine?
N-[3,5-bis(trifluoromethyl)phenyl]-1-benzothiophen-3-amine has a molecular weight of 361.31 g/mol, XLogP of 6.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-1-benzothiophen-3-amine is sourced from PubChem (CID 156784972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).