N-[(3-bromothiophen-2-yl)methyl]-2-fluoroethanamine

C7H9BrFNS — CID 80694718

IUPACN-[(3-bromothiophen-2-yl)methyl]-2-fluoroethanamine
SMILESFCCNCc1sccc1Br
InChIInChI=1S/C7H9BrFNS/c8-6-1-4-11-7(6)5-10-3-2-9/h1,4,10H,2-3,5H2
InChIKeyDTAUZASNNQQGNR-UHFFFAOYSA-N
MW238.12 g/mol
LogP2.57
Rot. Bonds4

About N-[(3-bromothiophen-2-yl)methyl]-2-fluoroethanamine

N-[(3-bromothiophen-2-yl)methyl]-2-fluoroethanamine (PubChem CID 80694718) has the molecular formula C7H9BrFNS and a molecular weight of 238.12 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-2-fluoroethanamine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-2-fluoroethanamine
PubChem CID80694718
Molecular FormulaC7H9BrFNS
Molecular Weight238.12 g/mol
Exact Mass236.96
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-2-fluoroethanamine
SMILESFCCNCc1sccc1Br
InChIInChI=1S/C7H9BrFNS/c8-6-1-4-11-7(6)5-10-3-2-9/h1,4,10H,2-3,5H2
InChIKeyDTAUZASNNQQGNR-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Methyl-1-(thiophen-2-yl)methanamine
CID 436153
(Prop-2-en-1-yl)(thiophen-2-ylmethyl)amine
CID 2560646
Ethyl[(thiophen-2-yl)methyl]amine
CID 4716479
(4-Bromothiophen-2-yl)methanamine
CID 42282037
[(5-Bromothiophen-2-yl)methyl](methyl)amine
CID 2449439
(Propan-2-yl)(thiophen-2-ylmethyl)amine
CID 17052885
Ethyl[(thiophen-2-yl)methyl]amine hydrochloride
CID 17290737
1-(4-Bromothiophen-2-yl)-N-methylmethanamine
CID 42282034
(3-Bromothiophen-2-yl)methanamine
CID 47002497
2-(3-Bromothiophen-2-yl)ethan-1-amine
CID 61727460
N-(2-thienylmethyl)ethylenediamine
CID 12595198
2-(4-Bromothiophen-2-yl)pyrrolidine hydrochloride
CID 17389804

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2-fluoroethanamine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2-fluoroethanamine (CID 80694718) is N-[(3-bromothiophen-2-yl)methyl]-2-fluoroethanamine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-2-fluoroethanamine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-2-fluoroethanamine is FCCNCc1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-2-fluoroethanamine?
The InChIKey is DTAUZASNNQQGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrFNS/c8-6-1-4-11-7(6)5-10-3-2-9/h1,4,10H,2-3,5H2.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-2-fluoroethanamine?
N-[(3-bromothiophen-2-yl)methyl]-2-fluoroethanamine has a molecular weight of 238.12 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-2-fluoroethanamine is sourced from PubChem (CID 80694718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).