N-[1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

C11H15BrF3NO2 — CID 103215366

IUPACN-[1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)c1occc1Br
InChIInChI=1S/C11H15BrF3NO2/c1-2-4-16-9(6-17-7-11(13,14)15)10-8(12)3-5-18-10/h3,5,9,16H,2,4,6-7H2,1H3
InChIKeyMLIJKCCVAXHOSM-UHFFFAOYSA-N
MW330.14 g/mol
LogP3.66
Rot. Bonds7

About N-[1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

N-[1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (PubChem CID 103215366) has the molecular formula C11H15BrF3NO2 and a molecular weight of 330.14 g/mol. Its IUPAC name is N-[1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
PubChem CID103215366
Molecular FormulaC11H15BrF3NO2
Molecular Weight330.14 g/mol
Exact Mass329.02
IUPAC NameN-[1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)c1occc1Br
InChIInChI=1S/C11H15BrF3NO2/c1-2-4-16-9(6-17-7-11(13,14)15)10-8(12)3-5-18-10/h3,5,9,16H,2,4,6-7H2,1H3
InChIKeyMLIJKCCVAXHOSM-UHFFFAOYSA-N
XLogP3.66
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.14
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(Furan-2-yl)ethyl](methyl)amine
CID 3161863
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(1-Furan-2-yl-propyl)-methyl-amine
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1,1,1-Trifluoro-4-{[(furan-2-yl)methyl]amino}pent-3-en-2-one
CID 4854692
(Z)-1,1,1-trifluoro-4-(furan-2-ylmethylamino)pent-3-en-2-one
CID 6219499
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (CID 103215366) is N-[1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is CCCNC(COCC(F)(F)F)c1occc1Br.
What is the InChIKey of N-[1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The InChIKey is MLIJKCCVAXHOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF3NO2/c1-2-4-16-9(6-17-7-11(13,14)15)10-8(12)3-5-18-10/h3,5,9,16H,2,4,6-7H2,1H3.
What are the key properties of N-[1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
N-[1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine has a molecular weight of 330.14 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 103215366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).