6-bromo-N-(2-fluoroethyl)-2,3-dihydro-1-benzothiophen-2-amine

C10H11BrFNS — CID 91337563

IUPAC6-bromo-N-(2-fluoroethyl)-2,3-dihydro-1-benzothiophen-2-amine
SMILESFCCNC1Cc2ccc(Br)cc2S1
InChIInChI=1S/C10H11BrFNS/c11-8-2-1-7-5-10(13-4-3-12)14-9(7)6-8/h1-2,6,10,13H,3-5H2
InChIKeyRRWVRWLRASCQAP-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.98
Rot. Bonds3

About 6-bromo-N-(2-fluoroethyl)-2,3-dihydro-1-benzothiophen-2-amine

6-bromo-N-(2-fluoroethyl)-2,3-dihydro-1-benzothiophen-2-amine (PubChem CID 91337563) has the molecular formula C10H11BrFNS and a molecular weight of 276.17 g/mol. Its IUPAC name is 6-bromo-N-(2-fluoroethyl)-2,3-dihydro-1-benzothiophen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2-fluoroethyl)-2,3-dihydro-1-benzothiophen-2-amine
PubChem CID91337563
Molecular FormulaC10H11BrFNS
Molecular Weight276.17 g/mol
Exact Mass274.98
IUPAC Name6-bromo-N-(2-fluoroethyl)-2,3-dihydro-1-benzothiophen-2-amine
SMILESFCCNC1Cc2ccc(Br)cc2S1
InChIInChI=1S/C10H11BrFNS/c11-8-2-1-7-5-10(13-4-3-12)14-9(7)6-8/h1-2,6,10,13H,3-5H2
InChIKeyRRWVRWLRASCQAP-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-fluoroethyl)-2,3-dihydro-1-benzothiophen-2-amine?
The IUPAC name of 6-bromo-N-(2-fluoroethyl)-2,3-dihydro-1-benzothiophen-2-amine (CID 91337563) is 6-bromo-N-(2-fluoroethyl)-2,3-dihydro-1-benzothiophen-2-amine.
What is the SMILES notation for 6-bromo-N-(2-fluoroethyl)-2,3-dihydro-1-benzothiophen-2-amine?
The canonical SMILES for 6-bromo-N-(2-fluoroethyl)-2,3-dihydro-1-benzothiophen-2-amine is FCCNC1Cc2ccc(Br)cc2S1.
What is the InChIKey of 6-bromo-N-(2-fluoroethyl)-2,3-dihydro-1-benzothiophen-2-amine?
The InChIKey is RRWVRWLRASCQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNS/c11-8-2-1-7-5-10(13-4-3-12)14-9(7)6-8/h1-2,6,10,13H,3-5H2.
What are the key properties of 6-bromo-N-(2-fluoroethyl)-2,3-dihydro-1-benzothiophen-2-amine?
6-bromo-N-(2-fluoroethyl)-2,3-dihydro-1-benzothiophen-2-amine has a molecular weight of 276.17 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-fluoroethyl)-2,3-dihydro-1-benzothiophen-2-amine is sourced from PubChem (CID 91337563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).