2-N-(1-benzothiophen-3-yl)-3-fluorobenzene-1,2-diamine

C14H11FN2S — CID 115125641

IUPAC2-N-(1-benzothiophen-3-yl)-3-fluorobenzene-1,2-diamine
SMILESNc1cccc(F)c1Nc1csc2ccccc12
InChIInChI=1S/C14H11FN2S/c15-10-5-3-6-11(16)14(10)17-12-8-18-13-7-2-1-4-9(12)13/h1-8,17H,16H2
InChIKeyHJVKWHFCJJCAIV-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.37
Rot. Bonds2

About 2-N-(1-benzothiophen-3-yl)-3-fluorobenzene-1,2-diamine

2-N-(1-benzothiophen-3-yl)-3-fluorobenzene-1,2-diamine (PubChem CID 115125641) has the molecular formula C14H11FN2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-N-(1-benzothiophen-3-yl)-3-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-benzothiophen-3-yl)-3-fluorobenzene-1,2-diamine
PubChem CID115125641
Molecular FormulaC14H11FN2S
Molecular Weight258.32 g/mol
Exact Mass258.06
IUPAC Name2-N-(1-benzothiophen-3-yl)-3-fluorobenzene-1,2-diamine
SMILESNc1cccc(F)c1Nc1csc2ccccc12
InChIInChI=1S/C14H11FN2S/c15-10-5-3-6-11(16)14(10)17-12-8-18-13-7-2-1-4-9(12)13/h1-8,17H,16H2
InChIKeyHJVKWHFCJJCAIV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-1-benzothiophen-3-amine
CID 45270419
2-N-(5-bromo-2-fluorophenyl)-3-fluorobenzene-1,2-diamine
CID 112740455
N-triphenylen-2-yl-1-benzothiophen-3-amine
CID 171751374
N-(1-benzothiophen-3-yl)pyridin-2-amine
CID 19360249
1-benzothiophen-3-yl-(2,6-difluorophenyl)methanamine
CID 43150877
3-fluoro-2-N-pyridin-4-ylbenzene-1,2-diamine
CID 115125636
2-(1-benzothiophen-3-ylamino)benzoic acid
CID 125468623
N-(bromomethyl)-1-benzothiophen-3-amine
CID 115261633
1-benzothiophen-3-yl-(2,3-difluorophenyl)methanamine
CID 55101865
5-N-(2,6-difluorophenyl)isoquinoline-5,8-diamine
CID 43448805
3-fluoro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine
CID 115125585
4-(2-amino-6-fluoroanilino)benzonitrile
CID 112740450

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzothiophen-3-yl)-3-fluorobenzene-1,2-diamine?
The IUPAC name of 2-N-(1-benzothiophen-3-yl)-3-fluorobenzene-1,2-diamine (CID 115125641) is 2-N-(1-benzothiophen-3-yl)-3-fluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(1-benzothiophen-3-yl)-3-fluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-(1-benzothiophen-3-yl)-3-fluorobenzene-1,2-diamine is Nc1cccc(F)c1Nc1csc2ccccc12.
What is the InChIKey of 2-N-(1-benzothiophen-3-yl)-3-fluorobenzene-1,2-diamine?
The InChIKey is HJVKWHFCJJCAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2S/c15-10-5-3-6-11(16)14(10)17-12-8-18-13-7-2-1-4-9(12)13/h1-8,17H,16H2.
What are the key properties of 2-N-(1-benzothiophen-3-yl)-3-fluorobenzene-1,2-diamine?
2-N-(1-benzothiophen-3-yl)-3-fluorobenzene-1,2-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 2-N-(1-benzothiophen-3-yl)-3-fluorobenzene-1,2-diamine is sourced from PubChem (CID 115125641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).