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

C10H14BrF2NS — CID 103516574

IUPAC3-(3-bromothiophen-2-yl)-1,1-difluoro-N-propylpropan-2-amine
SMILESCCCNC(Cc1sccc1Br)C(F)F
InChIInChI=1S/C10H14BrF2NS/c1-2-4-14-8(10(12)13)6-9-7(11)3-5-15-9/h3,5,8,10,14H,2,4,6H2,1H3
InChIKeyDJYUEPKPTOJRMQ-UHFFFAOYSA-N
MW298.20 g/mol
LogP3.69
Rot. Bonds6

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

3-(3-bromothiophen-2-yl)-1,1-difluoro-N-propylpropan-2-amine (PubChem CID 103516574) has the molecular formula C10H14BrF2NS and a molecular weight of 298.20 g/mol. Its IUPAC name is 3-(3-bromothiophen-2-yl)-1,1-difluoro-N-propylpropan-2-amine.

Molecular Properties

Compound Name3-(3-bromothiophen-2-yl)-1,1-difluoro-N-propylpropan-2-amine
PubChem CID103516574
Molecular FormulaC10H14BrF2NS
Molecular Weight298.20 g/mol
Exact Mass297.00
IUPAC Name3-(3-bromothiophen-2-yl)-1,1-difluoro-N-propylpropan-2-amine
SMILESCCCNC(Cc1sccc1Br)C(F)F
InChIInChI=1S/C10H14BrF2NS/c1-2-4-14-8(10(12)13)6-9-7(11)3-5-15-9/h3,5,8,10,14H,2,4,6H2,1H3
InChIKeyDJYUEPKPTOJRMQ-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromothiophen-2-yl)-1,1-difluoro-N-propylpropan-2-amine?
The IUPAC name of 3-(3-bromothiophen-2-yl)-1,1-difluoro-N-propylpropan-2-amine (CID 103516574) is 3-(3-bromothiophen-2-yl)-1,1-difluoro-N-propylpropan-2-amine.
What is the SMILES notation for 3-(3-bromothiophen-2-yl)-1,1-difluoro-N-propylpropan-2-amine?
The canonical SMILES for 3-(3-bromothiophen-2-yl)-1,1-difluoro-N-propylpropan-2-amine is CCCNC(Cc1sccc1Br)C(F)F.
What is the InChIKey of 3-(3-bromothiophen-2-yl)-1,1-difluoro-N-propylpropan-2-amine?
The InChIKey is DJYUEPKPTOJRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrF2NS/c1-2-4-14-8(10(12)13)6-9-7(11)3-5-15-9/h3,5,8,10,14H,2,4,6H2,1H3.
What are the key properties of 3-(3-bromothiophen-2-yl)-1,1-difluoro-N-propylpropan-2-amine?
3-(3-bromothiophen-2-yl)-1,1-difluoro-N-propylpropan-2-amine has a molecular weight of 298.20 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromothiophen-2-yl)-1,1-difluoro-N-propylpropan-2-amine is sourced from PubChem (CID 103516574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).