1-(3-bromofuran-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

C9H11BrF3NO2 — CID 103215364

IUPAC1-(3-bromofuran-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1occc1Br
InChIInChI=1S/C9H11BrF3NO2/c1-14-7(4-15-5-9(11,12)13)8-6(10)2-3-16-8/h2-3,7,14H,4-5H2,1H3
InChIKeyPQPJNTJRROPOJP-UHFFFAOYSA-N
MW302.09 g/mol
LogP2.88
Rot. Bonds5

About 1-(3-bromofuran-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

1-(3-bromofuran-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103215364) has the molecular formula C9H11BrF3NO2 and a molecular weight of 302.09 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103215364
Molecular FormulaC9H11BrF3NO2
Molecular Weight302.09 g/mol
Exact Mass300.99
IUPAC Name1-(3-bromofuran-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1occc1Br
InChIInChI=1S/C9H11BrF3NO2/c1-14-7(4-15-5-9(11,12)13)8-6(10)2-3-16-8/h2-3,7,14H,4-5H2,1H3
InChIKeyPQPJNTJRROPOJP-UHFFFAOYSA-N
XLogP2.88
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.09
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103215364) is 1-(3-bromofuran-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is CNC(COCC(F)(F)F)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is PQPJNTJRROPOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF3NO2/c1-14-7(4-15-5-9(11,12)13)8-6(10)2-3-16-8/h2-3,7,14H,4-5H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(3-bromofuran-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 302.09 g/mol, XLogP of 2.88, 5 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-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103215364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).