1-(4-bromothiophen-2-yl)-1,1-difluoro-2-methylpropan-2-amine

C8H10BrF2NS — CID 116839425

IUPAC1-(4-bromothiophen-2-yl)-1,1-difluoro-2-methylpropan-2-amine
SMILESCC(C)(N)C(F)(F)c1cc(Br)cs1
InChIInChI=1S/C8H10BrF2NS/c1-7(2,12)8(10,11)6-3-5(9)4-13-6/h3-4H,12H2,1-2H3
InChIKeyYQVKESDDVRJAIQ-UHFFFAOYSA-N
MW270.14 g/mol
LogP3.34
Rot. Bonds2

About 1-(4-bromothiophen-2-yl)-1,1-difluoro-2-methylpropan-2-amine

1-(4-bromothiophen-2-yl)-1,1-difluoro-2-methylpropan-2-amine (PubChem CID 116839425) has the molecular formula C8H10BrF2NS and a molecular weight of 270.14 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-1,1-difluoro-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-1,1-difluoro-2-methylpropan-2-amine
PubChem CID116839425
Molecular FormulaC8H10BrF2NS
Molecular Weight270.14 g/mol
Exact Mass268.97
IUPAC Name1-(4-bromothiophen-2-yl)-1,1-difluoro-2-methylpropan-2-amine
SMILESCC(C)(N)C(F)(F)c1cc(Br)cs1
InChIInChI=1S/C8H10BrF2NS/c1-7(2,12)8(10,11)6-3-5(9)4-13-6/h3-4H,12H2,1-2H3
InChIKeyYQVKESDDVRJAIQ-UHFFFAOYSA-N
XLogP3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-1,1-difluoro-2-methylpropan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-1,1-difluoro-2-methylpropan-2-amine (CID 116839425) is 1-(4-bromothiophen-2-yl)-1,1-difluoro-2-methylpropan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-1,1-difluoro-2-methylpropan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-1,1-difluoro-2-methylpropan-2-amine is CC(C)(N)C(F)(F)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-1,1-difluoro-2-methylpropan-2-amine?
The InChIKey is YQVKESDDVRJAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF2NS/c1-7(2,12)8(10,11)6-3-5(9)4-13-6/h3-4H,12H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-1,1-difluoro-2-methylpropan-2-amine?
1-(4-bromothiophen-2-yl)-1,1-difluoro-2-methylpropan-2-amine has a molecular weight of 270.14 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-1,1-difluoro-2-methylpropan-2-amine is sourced from PubChem (CID 116839425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).