1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

C11H14BrF4NO2 — CID 103475820

IUPAC1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCCNC(COCC(F)(F)C(F)F)c1occc1Br
InChIInChI=1S/C11H14BrF4NO2/c1-2-17-8(9-7(12)3-4-19-9)5-18-6-11(15,16)10(13)14/h3-4,8,10,17H,2,5-6H2,1H3
InChIKeyKASJHIMSTCVRKK-UHFFFAOYSA-N
MW348.13 g/mol
LogP3.61
Rot. Bonds8

About 1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 103475820) has the molecular formula C11H14BrF4NO2 and a molecular weight of 348.13 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID103475820
Molecular FormulaC11H14BrF4NO2
Molecular Weight348.13 g/mol
Exact Mass347.01
IUPAC Name1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCCNC(COCC(F)(F)C(F)F)c1occc1Br
InChIInChI=1S/C11H14BrF4NO2/c1-2-17-8(9-7(12)3-4-19-9)5-18-6-11(15,16)10(13)14/h3-4,8,10,17H,2,5-6H2,1H3
InChIKeyKASJHIMSTCVRKK-UHFFFAOYSA-N
XLogP3.61
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.13
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(Furan-2-yl)ethyl](methyl)amine
CID 3161863
3-(Furan-2-yl)morpholine
CID 24271584
(1-Furan-2-yl-propyl)-methyl-amine
CID 6485517
N-(1-(furan-2-yl)ethyl)cyclopropanamine hydrochloride
CID 45792190
[(3-Bromofuran-2-yl)methyl](methyl)amine hydrochloride
CID 167726692
N-[1-(furan-2-yl)ethyl]hexan-1-amine
CID 43182358
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
3-(5-Methylfuran-2-yl)morpholine
CID 54593864
2-[[1-(furan-2-yl)-2-methoxyethyl]amino]-N,N-dimethylpropanamide
CID 75484764
3-[[(1S)-1-(3-bromofuran-2-yl)ethyl]amino]-N-ethyl-2,2-dimethylpropanamide
CID 97338645
N-[1-(5-bromofuran-2-yl)ethyl]-1-(furan-2-yl)-2-methoxyethanamine
CID 121520625
3-methyl-4-[[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]cyclobut-3-ene-1,2-dione
CID 58418404

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 103475820) is 1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is CCNC(COCC(F)(F)C(F)F)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is KASJHIMSTCVRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF4NO2/c1-2-17-8(9-7(12)3-4-19-9)5-18-6-11(15,16)10(13)14/h3-4,8,10,17H,2,5-6H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 348.13 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 103475820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).