2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine

C11H17BrFNS — CID 112566642

IUPAC2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(F)(CN)Cc1sccc1Br
InChIInChI=1S/C11H17BrFNS/c1-10(2,3)11(13,7-14)6-9-8(12)4-5-15-9/h4-5H,6-7,14H2,1-3H3
InChIKeyFASBIQJUJHQVBZ-UHFFFAOYSA-N
MW294.23 g/mol
LogP3.77
Rot. Bonds3

About 2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine

2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine (PubChem CID 112566642) has the molecular formula C11H17BrFNS and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine
PubChem CID112566642
Molecular FormulaC11H17BrFNS
Molecular Weight294.23 g/mol
Exact Mass293.02
IUPAC Name2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(F)(CN)Cc1sccc1Br
InChIInChI=1S/C11H17BrFNS/c1-10(2,3)11(13,7-14)6-9-8(12)4-5-15-9/h4-5H,6-7,14H2,1-3H3
InChIKeyFASBIQJUJHQVBZ-UHFFFAOYSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine (CID 112566642) is 2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine is CC(C)(C)C(F)(CN)Cc1sccc1Br.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine?
The InChIKey is FASBIQJUJHQVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrFNS/c1-10(2,3)11(13,7-14)6-9-8(12)4-5-15-9/h4-5H,6-7,14H2,1-3H3.
What are the key properties of 2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine?
2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine has a molecular weight of 294.23 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 112566642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).