N-(4-fluorophenyl)-1-benzothiophen-3-amine

C14H10FNS — CID 11425054

IUPACN-(4-fluorophenyl)-1-benzothiophen-3-amine
SMILESFc1ccc(Nc2csc3ccccc23)cc1
InChIInChI=1S/C14H10FNS/c15-10-5-7-11(8-6-10)16-13-9-17-14-4-2-1-3-12(13)14/h1-9,16H
InChIKeyXDCCLHIIYOMJPQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP4.78
Rot. Bonds2

About N-(4-fluorophenyl)-1-benzothiophen-3-amine

N-(4-fluorophenyl)-1-benzothiophen-3-amine (PubChem CID 11425054) has the molecular formula C14H10FNS and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-benzothiophen-3-amine
PubChem CID11425054
Molecular FormulaC14H10FNS
Molecular Weight243.31 g/mol
Exact Mass243.05
IUPAC NameN-(4-fluorophenyl)-1-benzothiophen-3-amine
SMILESFc1ccc(Nc2csc3ccccc23)cc1
InChIInChI=1S/C14H10FNS/c15-10-5-7-11(8-6-10)16-13-9-17-14-4-2-1-3-12(13)14/h1-9,16H
InChIKeyXDCCLHIIYOMJPQ-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-Benzothiophen-3-yl)acetamide
CID 746770
N-(1-benzothiophen-3-yl)-N'-phenylurea
CID 2813497
N-(1-benzothiophen-3-yl)-N'-(2,4-difluorophenyl)urea
CID 2816287
N-(1-benzothiophen-3-yl)-N'-(4-fluorophenyl)urea
CID 2816297
N-(1-benzothiophen-5-yl)-2-phenylsulfanylacetamide
CID 7254713
3-methyl-N-phenyl-1-benzothiophene-2-carbothioamide
CID 2824353
N3-(4-Fluorophenyl) benzo[b] thiophene-2,3-diamine
CID 86580676
N3-(3-Chloro-4-fluorophenyl) benzo[b] thiophene-2,3-diamine
CID 86582634
N3-(3-Fluorophenyl) benzo[b] thiophene-2,3-diamine
CID 86582635
N3-(4-Fluoro-3-(trifluoro-methyl)phenyl) benzo[b] thiophene-2,3-diamine
CID 86582779
N3-(3-Ethynyl-phenyl)-1-benzothio-phene-2,3-diamine
CID 86582785
N3-phenylbenzo[b]thiophene-2,3-diamine
CID 86709236

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-benzothiophen-3-amine?
The IUPAC name of N-(4-fluorophenyl)-1-benzothiophen-3-amine (CID 11425054) is N-(4-fluorophenyl)-1-benzothiophen-3-amine.
What is the SMILES notation for N-(4-fluorophenyl)-1-benzothiophen-3-amine?
The canonical SMILES for N-(4-fluorophenyl)-1-benzothiophen-3-amine is Fc1ccc(Nc2csc3ccccc23)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-benzothiophen-3-amine?
The InChIKey is XDCCLHIIYOMJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNS/c15-10-5-7-11(8-6-10)16-13-9-17-14-4-2-1-3-12(13)14/h1-9,16H.
What are the key properties of N-(4-fluorophenyl)-1-benzothiophen-3-amine?
N-(4-fluorophenyl)-1-benzothiophen-3-amine has a molecular weight of 243.31 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-benzothiophen-3-amine is sourced from PubChem (CID 11425054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).