3-(4-bromothiophen-2-yl)-3,3-difluoro-N-methylpropan-1-amine

C8H10BrF2NS — CID 116838702

IUPAC3-(4-bromothiophen-2-yl)-3,3-difluoro-N-methylpropan-1-amine
SMILESCNCCC(F)(F)c1cc(Br)cs1
InChIInChI=1S/C8H10BrF2NS/c1-12-3-2-8(10,11)7-4-6(9)5-13-7/h4-5,12H,2-3H2,1H3
InChIKeyCCSMZGOWVJXBTR-UHFFFAOYSA-N
MW270.14 g/mol
LogP3.21
Rot. Bonds4

About 3-(4-bromothiophen-2-yl)-3,3-difluoro-N-methylpropan-1-amine

3-(4-bromothiophen-2-yl)-3,3-difluoro-N-methylpropan-1-amine (PubChem CID 116838702) has the molecular formula C8H10BrF2NS and a molecular weight of 270.14 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-3,3-difluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-3,3-difluoro-N-methylpropan-1-amine
PubChem CID116838702
Molecular FormulaC8H10BrF2NS
Molecular Weight270.14 g/mol
Exact Mass268.97
IUPAC Name3-(4-bromothiophen-2-yl)-3,3-difluoro-N-methylpropan-1-amine
SMILESCNCCC(F)(F)c1cc(Br)cs1
InChIInChI=1S/C8H10BrF2NS/c1-12-3-2-8(10,11)7-4-6(9)5-13-7/h4-5,12H,2-3H2,1H3
InChIKeyCCSMZGOWVJXBTR-UHFFFAOYSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)-3,3-difluoro-N-methylpropan-1-amine?
The IUPAC name of 3-(4-bromothiophen-2-yl)-3,3-difluoro-N-methylpropan-1-amine (CID 116838702) is 3-(4-bromothiophen-2-yl)-3,3-difluoro-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-3,3-difluoro-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-3,3-difluoro-N-methylpropan-1-amine is CNCCC(F)(F)c1cc(Br)cs1.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-3,3-difluoro-N-methylpropan-1-amine?
The InChIKey is CCSMZGOWVJXBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF2NS/c1-12-3-2-8(10,11)7-4-6(9)5-13-7/h4-5,12H,2-3H2,1H3.
What are the key properties of 3-(4-bromothiophen-2-yl)-3,3-difluoro-N-methylpropan-1-amine?
3-(4-bromothiophen-2-yl)-3,3-difluoro-N-methylpropan-1-amine has a molecular weight of 270.14 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-2-yl)-3,3-difluoro-N-methylpropan-1-amine is sourced from PubChem (CID 116838702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).