3-(2-fluoropropan-2-yl)-1-benzothiophen-5-amine

C11H12FNS — CID 84677100

IUPAC3-(2-fluoropropan-2-yl)-1-benzothiophen-5-amine
SMILESCC(C)(F)c1csc2ccc(N)cc12
InChIInChI=1S/C11H12FNS/c1-11(2,12)9-6-14-10-4-3-7(13)5-8(9)10/h3-6H,13H2,1-2H3
InChIKeyXMWSSXFCPWMUGY-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.69
Rot. Bonds1

About 3-(2-fluoropropan-2-yl)-1-benzothiophen-5-amine

3-(2-fluoropropan-2-yl)-1-benzothiophen-5-amine (PubChem CID 84677100) has the molecular formula C11H12FNS and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(2-fluoropropan-2-yl)-1-benzothiophen-5-amine.

Molecular Properties

Compound Name3-(2-fluoropropan-2-yl)-1-benzothiophen-5-amine
PubChem CID84677100
Molecular FormulaC11H12FNS
Molecular Weight209.29 g/mol
Exact Mass209.07
IUPAC Name3-(2-fluoropropan-2-yl)-1-benzothiophen-5-amine
SMILESCC(C)(F)c1csc2ccc(N)cc12
InChIInChI=1S/C11H12FNS/c1-11(2,12)9-6-14-10-4-3-7(13)5-8(9)10/h3-6H,13H2,1-2H3
InChIKeyXMWSSXFCPWMUGY-UHFFFAOYSA-N
XLogP3.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropan-2-yl)-1-benzothiophen-5-amine?
The IUPAC name of 3-(2-fluoropropan-2-yl)-1-benzothiophen-5-amine (CID 84677100) is 3-(2-fluoropropan-2-yl)-1-benzothiophen-5-amine.
What is the SMILES notation for 3-(2-fluoropropan-2-yl)-1-benzothiophen-5-amine?
The canonical SMILES for 3-(2-fluoropropan-2-yl)-1-benzothiophen-5-amine is CC(C)(F)c1csc2ccc(N)cc12.
What is the InChIKey of 3-(2-fluoropropan-2-yl)-1-benzothiophen-5-amine?
The InChIKey is XMWSSXFCPWMUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNS/c1-11(2,12)9-6-14-10-4-3-7(13)5-8(9)10/h3-6H,13H2,1-2H3.
What are the key properties of 3-(2-fluoropropan-2-yl)-1-benzothiophen-5-amine?
3-(2-fluoropropan-2-yl)-1-benzothiophen-5-amine has a molecular weight of 209.29 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropan-2-yl)-1-benzothiophen-5-amine is sourced from PubChem (CID 84677100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).