1-(5-bromothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine

C10H11BrF5NS — CID 61103795

IUPAC1-(5-bromothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(Br)s1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11BrF5NS/c1-2-5-17-8(6-3-4-7(11)18-6)9(12,13)10(14,15)16/h3-4,8,17H,2,5H2,1H3
InChIKeyAAZCOZKDRLDULO-UHFFFAOYSA-N
MW352.17 g/mol
LogP4.75
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine

1-(5-bromothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine (PubChem CID 61103795) has the molecular formula C10H11BrF5NS and a molecular weight of 352.17 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
PubChem CID61103795
Molecular FormulaC10H11BrF5NS
Molecular Weight352.17 g/mol
Exact Mass350.97
IUPAC Name1-(5-bromothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(Br)s1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11BrF5NS/c1-2-5-17-8(6-3-4-7(11)18-6)9(12,13)10(14,15)16/h3-4,8,17H,2,5H2,1H3
InChIKeyAAZCOZKDRLDULO-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.17
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-(5-bromothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine with MolForge

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
CID 43496834
N-[(5-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61345428
N-[(5-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 65237372
1-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 62678969
N-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine
CID 61102833
N-[1-(5-bromothiophen-2-yl)-2-propoxyethyl]propan-1-amine
CID 79575330
N-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine
CID 61104757
N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 63503607
1-(5-bromo-2-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
CID 43493898
N-[(4-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 63503772
N-[(5-bromo-4-chlorothiophen-2-yl)-(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 80532243
N-[(5-bromothiophen-2-yl)-(2,6-dichlorophenyl)methyl]propan-1-amine
CID 63502746

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine (CID 61103795) is 1-(5-bromothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine is CCCNC(c1ccc(Br)s1)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine?
The InChIKey is AAZCOZKDRLDULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF5NS/c1-2-5-17-8(6-3-4-7(11)18-6)9(12,13)10(14,15)16/h3-4,8,17H,2,5H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine?
1-(5-bromothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine has a molecular weight of 352.17 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine is sourced from PubChem (CID 61103795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).