4-(5-bromothiophen-2-yl)-4,4-difluoro-2-methylbutan-2-amine

C9H12BrF2NS — CID 116839521

IUPAC4-(5-bromothiophen-2-yl)-4,4-difluoro-2-methylbutan-2-amine
SMILESCC(C)(N)CC(F)(F)c1ccc(Br)s1
InChIInChI=1S/C9H12BrF2NS/c1-8(2,13)5-9(11,12)6-3-4-7(10)14-6/h3-4H,5,13H2,1-2H3
InChIKeyPZLCEPRROTZFFT-UHFFFAOYSA-N
MW284.17 g/mol
LogP3.73
Rot. Bonds3

About 4-(5-bromothiophen-2-yl)-4,4-difluoro-2-methylbutan-2-amine

4-(5-bromothiophen-2-yl)-4,4-difluoro-2-methylbutan-2-amine (PubChem CID 116839521) has the molecular formula C9H12BrF2NS and a molecular weight of 284.17 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-4,4-difluoro-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-4,4-difluoro-2-methylbutan-2-amine
PubChem CID116839521
Molecular FormulaC9H12BrF2NS
Molecular Weight284.17 g/mol
Exact Mass282.98
IUPAC Name4-(5-bromothiophen-2-yl)-4,4-difluoro-2-methylbutan-2-amine
SMILESCC(C)(N)CC(F)(F)c1ccc(Br)s1
InChIInChI=1S/C9H12BrF2NS/c1-8(2,13)5-9(11,12)6-3-4-7(10)14-6/h3-4H,5,13H2,1-2H3
InChIKeyPZLCEPRROTZFFT-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.17
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-4,4-difluoro-2-methylbutan-2-amine?
The IUPAC name of 4-(5-bromothiophen-2-yl)-4,4-difluoro-2-methylbutan-2-amine (CID 116839521) is 4-(5-bromothiophen-2-yl)-4,4-difluoro-2-methylbutan-2-amine.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-4,4-difluoro-2-methylbutan-2-amine?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-4,4-difluoro-2-methylbutan-2-amine is CC(C)(N)CC(F)(F)c1ccc(Br)s1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-4,4-difluoro-2-methylbutan-2-amine?
The InChIKey is PZLCEPRROTZFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrF2NS/c1-8(2,13)5-9(11,12)6-3-4-7(10)14-6/h3-4H,5,13H2,1-2H3.
What are the key properties of 4-(5-bromothiophen-2-yl)-4,4-difluoro-2-methylbutan-2-amine?
4-(5-bromothiophen-2-yl)-4,4-difluoro-2-methylbutan-2-amine has a molecular weight of 284.17 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-4,4-difluoro-2-methylbutan-2-amine is sourced from PubChem (CID 116839521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).