N-(5-bromo-2-fluorophenyl)thiolan-3-amine

C10H11BrFNS — CID 43555451

IUPACN-(5-bromo-2-fluorophenyl)thiolan-3-amine
SMILESFc1ccc(Br)cc1NC1CCSC1
InChIInChI=1S/C10H11BrFNS/c11-7-1-2-9(12)10(5-7)13-8-3-4-14-6-8/h1-2,5,8,13H,3-4,6H2
InChIKeyPELBEOXDKVYCAZ-UHFFFAOYSA-N
MW276.17 g/mol
LogP3.51
Rot. Bonds2

About N-(5-bromo-2-fluorophenyl)thiolan-3-amine

N-(5-bromo-2-fluorophenyl)thiolan-3-amine (PubChem CID 43555451) has the molecular formula C10H11BrFNS and a molecular weight of 276.17 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)thiolan-3-amine
PubChem CID43555451
Molecular FormulaC10H11BrFNS
Molecular Weight276.17 g/mol
Exact Mass274.98
IUPAC NameN-(5-bromo-2-fluorophenyl)thiolan-3-amine
SMILESFc1ccc(Br)cc1NC1CCSC1
InChIInChI=1S/C10H11BrFNS/c11-7-1-2-9(12)10(5-7)13-8-3-4-14-6-8/h1-2,5,8,13H,3-4,6H2
InChIKeyPELBEOXDKVYCAZ-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)thiolan-3-amine?
The IUPAC name of N-(5-bromo-2-fluorophenyl)thiolan-3-amine (CID 43555451) is N-(5-bromo-2-fluorophenyl)thiolan-3-amine.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)thiolan-3-amine?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)thiolan-3-amine is Fc1ccc(Br)cc1NC1CCSC1.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)thiolan-3-amine?
The InChIKey is PELBEOXDKVYCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNS/c11-7-1-2-9(12)10(5-7)13-8-3-4-14-6-8/h1-2,5,8,13H,3-4,6H2.
What are the key properties of N-(5-bromo-2-fluorophenyl)thiolan-3-amine?
N-(5-bromo-2-fluorophenyl)thiolan-3-amine has a molecular weight of 276.17 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)thiolan-3-amine is sourced from PubChem (CID 43555451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).