7-fluorodibenzothiophen-3-amine

C12H8FNS — CID 54065419

IUPAC7-fluorodibenzothiophen-3-amine
SMILESNc1ccc2c(c1)sc1cc(F)ccc12
InChIInChI=1S/C12H8FNS/c13-7-1-3-9-10-4-2-8(14)6-12(10)15-11(9)5-7/h1-6H,14H2
InChIKeyMCPBYCGLKQVNED-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.78
Rot. Bonds

About 7-fluorodibenzothiophen-3-amine

7-fluorodibenzothiophen-3-amine (PubChem CID 54065419) has the molecular formula C12H8FNS and a molecular weight of 217.27 g/mol. Its IUPAC name is 7-fluorodibenzothiophen-3-amine.

Molecular Properties

Compound Name7-fluorodibenzothiophen-3-amine
PubChem CID54065419
Molecular FormulaC12H8FNS
Molecular Weight217.27 g/mol
Exact Mass217.04
IUPAC Name7-fluorodibenzothiophen-3-amine
SMILESNc1ccc2c(c1)sc1cc(F)ccc12
InChIInChI=1S/C12H8FNS/c13-7-1-3-9-10-4-2-8(14)6-12(10)15-11(9)5-7/h1-6H,14H2
InChIKeyMCPBYCGLKQVNED-UHFFFAOYSA-N
XLogP3.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(5-(4-Aminophenyl)thiophen-2-yl)benzenamine
CID 21788024
3-Dibenzothiophenamine
CID 425122
2-Dibenzothiophenamine
CID 298442
4-(Benzo[b]thiophen-2-yl)aniline
CID 4127352
Dibenzothiophene, 3-nitro-
CID 151997
1-Benzothiophen-6-amine
CID 220591
Benzo(b)thiophen-4-ylamine
CID 298484
1-Benzothiophen-3-amine
CID 11194423
N-(2-fluorophenyl)-2,3,5-trimethyl-1-benzothiophen-6-amine
CID 11254654
4-Dibenzothiophenamine
CID 153389
Dibenzothiophene-2,8-diamine
CID 12086410
2-(Benzo[b]thiophen-2-yl)aniline
CID 23540731

Frequently Asked Questions

What is the IUPAC name of 7-fluorodibenzothiophen-3-amine?
The IUPAC name of 7-fluorodibenzothiophen-3-amine (CID 54065419) is 7-fluorodibenzothiophen-3-amine.
What is the SMILES notation for 7-fluorodibenzothiophen-3-amine?
The canonical SMILES for 7-fluorodibenzothiophen-3-amine is Nc1ccc2c(c1)sc1cc(F)ccc12.
What is the InChIKey of 7-fluorodibenzothiophen-3-amine?
The InChIKey is MCPBYCGLKQVNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNS/c13-7-1-3-9-10-4-2-8(14)6-12(10)15-11(9)5-7/h1-6H,14H2.
What are the key properties of 7-fluorodibenzothiophen-3-amine?
7-fluorodibenzothiophen-3-amine has a molecular weight of 217.27 g/mol, XLogP of 3.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluorodibenzothiophen-3-amine is sourced from PubChem (CID 54065419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).