N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine

C9H10BrF4NS — CID 104579922

IUPACN-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESCC(NCC(F)(F)C(F)F)c1ccc(Br)s1
InChIInChI=1S/C9H10BrF4NS/c1-5(6-2-3-7(10)16-6)15-4-9(13,14)8(11)12/h2-3,5,8,15H,4H2,1H3
InChIKeyODSSIJCQGSEDBT-UHFFFAOYSA-N
MW320.15 g/mol
LogP4.06
Rot. Bonds5

About N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine

N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 104579922) has the molecular formula C9H10BrF4NS and a molecular weight of 320.15 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID104579922
Molecular FormulaC9H10BrF4NS
Molecular Weight320.15 g/mol
Exact Mass318.97
IUPAC NameN-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESCC(NCC(F)(F)C(F)F)c1ccc(Br)s1
InChIInChI=1S/C9H10BrF4NS/c1-5(6-2-3-7(10)16-6)15-4-9(13,14)8(11)12/h2-3,5,8,15H,4H2,1H3
InChIKeyODSSIJCQGSEDBT-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(5-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 65102628
3-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]pentan-3-ol
CID 65105459
3-[1-(5-bromothiophen-2-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115359127
N-[1-(5-bromothiophen-2-yl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 81343374
3-[1-(5-bromothiophen-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 115712100
2,2,2-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 24696263
(2R)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784283
(1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 93424951
(2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784282
2-[1-(5-bromothiophen-2-yl)ethylamino]-N-tert-butylacetamide
CID 81296450
4-[1-(5-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol
CID 66090594
2,2,3,3-tetrafluoro-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 104578482

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine (CID 104579922) is N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine is CC(NCC(F)(F)C(F)F)c1ccc(Br)s1.
What is the InChIKey of N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is ODSSIJCQGSEDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF4NS/c1-5(6-2-3-7(10)16-6)15-4-9(13,14)8(11)12/h2-3,5,8,15H,4H2,1H3.
What are the key properties of N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine?
N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 320.15 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 104579922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).