1-benzothiophen-3-yl-(3,4-difluorophenyl)methanamine

C15H11F2NS — CID 43150863

IUPAC1-benzothiophen-3-yl-(3,4-difluorophenyl)methanamine
SMILESNC(c1ccc(F)c(F)c1)c1csc2ccccc12
InChIInChI=1S/C15H11F2NS/c16-12-6-5-9(7-13(12)17)15(18)11-8-19-14-4-2-1-3-10(11)14/h1-8,15H,18H2
InChIKeyBOECIMHXBGJWQJ-UHFFFAOYSA-N
MW275.32 g/mol
LogP4.23
Rot. Bonds2

About 1-benzothiophen-3-yl-(3,4-difluorophenyl)methanamine

1-benzothiophen-3-yl-(3,4-difluorophenyl)methanamine (PubChem CID 43150863) has the molecular formula C15H11F2NS and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(3,4-difluorophenyl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(3,4-difluorophenyl)methanamine
PubChem CID43150863
Molecular FormulaC15H11F2NS
Molecular Weight275.32 g/mol
Exact Mass275.06
IUPAC Name1-benzothiophen-3-yl-(3,4-difluorophenyl)methanamine
SMILESNC(c1ccc(F)c(F)c1)c1csc2ccccc12
InChIInChI=1S/C15H11F2NS/c16-12-6-5-9(7-13(12)17)15(18)11-8-19-14-4-2-1-3-10(11)14/h1-8,15H,18H2
InChIKeyBOECIMHXBGJWQJ-UHFFFAOYSA-N
XLogP4.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(3,4-difluorophenyl)methanamine?
The IUPAC name of 1-benzothiophen-3-yl-(3,4-difluorophenyl)methanamine (CID 43150863) is 1-benzothiophen-3-yl-(3,4-difluorophenyl)methanamine.
What is the SMILES notation for 1-benzothiophen-3-yl-(3,4-difluorophenyl)methanamine?
The canonical SMILES for 1-benzothiophen-3-yl-(3,4-difluorophenyl)methanamine is NC(c1ccc(F)c(F)c1)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-(3,4-difluorophenyl)methanamine?
The InChIKey is BOECIMHXBGJWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NS/c16-12-6-5-9(7-13(12)17)15(18)11-8-19-14-4-2-1-3-10(11)14/h1-8,15H,18H2.
What are the key properties of 1-benzothiophen-3-yl-(3,4-difluorophenyl)methanamine?
1-benzothiophen-3-yl-(3,4-difluorophenyl)methanamine has a molecular weight of 275.32 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(3,4-difluorophenyl)methanamine is sourced from PubChem (CID 43150863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).