3-N-(4-fluorophenyl)-1-benzothiophene-2,3-diamine

C14H11FN2S — CID 86580676

IUPAC3-N-(4-fluorophenyl)-1-benzothiophene-2,3-diamine
SMILESNc1sc2ccccc2c1Nc1ccc(F)cc1
InChIInChI=1S/C14H11FN2S/c15-9-5-7-10(8-6-9)17-13-11-3-1-2-4-12(11)18-14(13)16/h1-8,17H,16H2
InChIKeySBCRCLIJOOHXNF-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.37
Rot. Bonds2

About 3-N-(4-fluorophenyl)-1-benzothiophene-2,3-diamine

3-N-(4-fluorophenyl)-1-benzothiophene-2,3-diamine (PubChem CID 86580676) has the molecular formula C14H11FN2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-N-(4-fluorophenyl)-1-benzothiophene-2,3-diamine.

Molecular Properties

Compound Name3-N-(4-fluorophenyl)-1-benzothiophene-2,3-diamine
PubChem CID86580676
Molecular FormulaC14H11FN2S
Molecular Weight258.32 g/mol
Exact Mass258.06
IUPAC Name3-N-(4-fluorophenyl)-1-benzothiophene-2,3-diamine
SMILESNc1sc2ccccc2c1Nc1ccc(F)cc1
InChIInChI=1S/C14H11FN2S/c15-9-5-7-10(8-6-9)17-13-11-3-1-2-4-12(11)18-14(13)16/h1-8,17H,16H2
InChIKeySBCRCLIJOOHXNF-UHFFFAOYSA-N
XLogP4.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-(4-fluorophenyl)-1-benzothiophene-2,3-diamine?
The IUPAC name of 3-N-(4-fluorophenyl)-1-benzothiophene-2,3-diamine (CID 86580676) is 3-N-(4-fluorophenyl)-1-benzothiophene-2,3-diamine.
What is the SMILES notation for 3-N-(4-fluorophenyl)-1-benzothiophene-2,3-diamine?
The canonical SMILES for 3-N-(4-fluorophenyl)-1-benzothiophene-2,3-diamine is Nc1sc2ccccc2c1Nc1ccc(F)cc1.
What is the InChIKey of 3-N-(4-fluorophenyl)-1-benzothiophene-2,3-diamine?
The InChIKey is SBCRCLIJOOHXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2S/c15-9-5-7-10(8-6-9)17-13-11-3-1-2-4-12(11)18-14(13)16/h1-8,17H,16H2.
What are the key properties of 3-N-(4-fluorophenyl)-1-benzothiophene-2,3-diamine?
3-N-(4-fluorophenyl)-1-benzothiophene-2,3-diamine has a molecular weight of 258.32 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-fluorophenyl)-1-benzothiophene-2,3-diamine is sourced from PubChem (CID 86580676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).