2-(2-chlorothiophen-3-yl)-2-fluoro-3,3-dimethylbutan-1-amine

C10H15ClFNS — CID 126985796

IUPAC2-(2-chlorothiophen-3-yl)-2-fluoro-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(F)(CN)c1ccsc1Cl
InChIInChI=1S/C10H15ClFNS/c1-9(2,3)10(12,6-13)7-4-5-14-8(7)11/h4-5H,6,13H2,1-3H3
InChIKeyFKZNQBGYXALYPG-UHFFFAOYSA-N
MW235.75 g/mol
LogP3.57
Rot. Bonds2

About 2-(2-chlorothiophen-3-yl)-2-fluoro-3,3-dimethylbutan-1-amine

2-(2-chlorothiophen-3-yl)-2-fluoro-3,3-dimethylbutan-1-amine (PubChem CID 126985796) has the molecular formula C10H15ClFNS and a molecular weight of 235.75 g/mol. Its IUPAC name is 2-(2-chlorothiophen-3-yl)-2-fluoro-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(2-chlorothiophen-3-yl)-2-fluoro-3,3-dimethylbutan-1-amine
PubChem CID126985796
Molecular FormulaC10H15ClFNS
Molecular Weight235.75 g/mol
Exact Mass235.06
IUPAC Name2-(2-chlorothiophen-3-yl)-2-fluoro-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(F)(CN)c1ccsc1Cl
InChIInChI=1S/C10H15ClFNS/c1-9(2,3)10(12,6-13)7-4-5-14-8(7)11/h4-5H,6,13H2,1-3H3
InChIKeyFKZNQBGYXALYPG-UHFFFAOYSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorothiophen-3-yl)-2-fluoro-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-(2-chlorothiophen-3-yl)-2-fluoro-3,3-dimethylbutan-1-amine (CID 126985796) is 2-(2-chlorothiophen-3-yl)-2-fluoro-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(2-chlorothiophen-3-yl)-2-fluoro-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(2-chlorothiophen-3-yl)-2-fluoro-3,3-dimethylbutan-1-amine is CC(C)(C)C(F)(CN)c1ccsc1Cl.
What is the InChIKey of 2-(2-chlorothiophen-3-yl)-2-fluoro-3,3-dimethylbutan-1-amine?
The InChIKey is FKZNQBGYXALYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClFNS/c1-9(2,3)10(12,6-13)7-4-5-14-8(7)11/h4-5H,6,13H2,1-3H3.
What are the key properties of 2-(2-chlorothiophen-3-yl)-2-fluoro-3,3-dimethylbutan-1-amine?
2-(2-chlorothiophen-3-yl)-2-fluoro-3,3-dimethylbutan-1-amine has a molecular weight of 235.75 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorothiophen-3-yl)-2-fluoro-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 126985796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).