1-(5-bromothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine

C9H9BrF5NS — CID 61102636

IUPAC1-(5-bromothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine
SMILESCCNC(c1ccc(Br)s1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9BrF5NS/c1-2-16-7(5-3-4-6(10)17-5)8(11,12)9(13,14)15/h3-4,7,16H,2H2,1H3
InChIKeyHSCJOWUSOCXDGN-UHFFFAOYSA-N
MW338.14 g/mol
LogP4.36
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine

1-(5-bromothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine (PubChem CID 61102636) has the molecular formula C9H9BrF5NS and a molecular weight of 338.14 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine
PubChem CID61102636
Molecular FormulaC9H9BrF5NS
Molecular Weight338.14 g/mol
Exact Mass336.96
IUPAC Name1-(5-bromothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine
SMILESCCNC(c1ccc(Br)s1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9BrF5NS/c1-2-16-7(5-3-4-6(10)17-5)8(11,12)9(13,14)15/h3-4,7,16H,2H2,1H3
InChIKeyHSCJOWUSOCXDGN-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.14
LogP ≤ 54.36
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)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(5-Bromothiophen-2-yl)methyl](methyl)amine
CID 2449439
1-(5-Bromothiophen-2-yl)ethan-1-amine
CID 4359396
[(5-Methylthiophen-2-yl)methyl](propan-2-yl)amine
CID 16495108
(1R)-1-(5-bromothiophen-2-yl)ethan-1-amine hydrochloride
CID 75412140
(1S)-1-(5-bromothiophen-2-yl)ethan-1-amine hydrochloride
CID 75412141
1-(5-Bromothiophen-2-yl)ethan-1-amine hydrochloride
CID 135377536
2-Bromo-6-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 44447171
2-{[1-(5-Bromothiophen-2-yl)ethyl]amino}ethan-1-ol
CID 61000307
N-[1-(4-bromo-3-fluorothiophen-2-yl)-3,3,3-trifluoropropyl]cyclopropanamine
CID 172563115
1-(4-bromo-3-fluorothiophen-2-yl)-N-propylbut-3-en-1-amine
CID 172563139
2-(4-Bromothiophen-2-yl)pyrrolidine
CID 17389805
[1-(Thiophen-2-YL)ethyl](2,2,2-trifluoroethyl)amine
CID 24694063

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine (CID 61102636) is 1-(5-bromothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine is CCNC(c1ccc(Br)s1)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine?
The InChIKey is HSCJOWUSOCXDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF5NS/c1-2-16-7(5-3-4-6(10)17-5)8(11,12)9(13,14)15/h3-4,7,16H,2H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine?
1-(5-bromothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine has a molecular weight of 338.14 g/mol, XLogP of 4.36, 4 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)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine is sourced from PubChem (CID 61102636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).