N-[(4-bromothiophen-2-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

C10H12BrF4NOS — CID 55092916

IUPACN-[(4-bromothiophen-2-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESFC(F)C(F)(F)COCCNCc1cc(Br)cs1
InChIInChI=1S/C10H12BrF4NOS/c11-7-3-8(18-5-7)4-16-1-2-17-6-10(14,15)9(12)13/h3,5,9,16H,1-2,4,6H2
InChIKeyYODLYPSBTUKQHK-UHFFFAOYSA-N
MW350.18 g/mol
LogP3.52
Rot. Bonds8

About N-[(4-bromothiophen-2-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

N-[(4-bromothiophen-2-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 55092916) has the molecular formula C10H12BrF4NOS and a molecular weight of 350.18 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID55092916
Molecular FormulaC10H12BrF4NOS
Molecular Weight350.18 g/mol
Exact Mass348.98
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESFC(F)C(F)(F)COCCNCc1cc(Br)cs1
InChIInChI=1S/C10H12BrF4NOS/c11-7-3-8(18-5-7)4-16-1-2-17-6-10(14,15)9(12)13/h3,5,9,16H,1-2,4,6H2
InChIKeyYODLYPSBTUKQHK-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 55092916) is N-[(4-bromothiophen-2-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is FC(F)C(F)(F)COCCNCc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is YODLYPSBTUKQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF4NOS/c11-7-3-8(18-5-7)4-16-1-2-17-6-10(14,15)9(12)13/h3,5,9,16H,1-2,4,6H2.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
N-[(4-bromothiophen-2-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 350.18 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 55092916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).