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

C12H16BrF4NO2 — CID 103475946

IUPACN-[1-(3-bromofuran-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)C(F)F)c1occc1Br
InChIInChI=1S/C12H16BrF4NO2/c1-2-4-18-9(10-8(13)3-5-20-10)6-19-7-12(16,17)11(14)15/h3,5,9,11,18H,2,4,6-7H2,1H3
InChIKeySZVBHICEDQKHRB-UHFFFAOYSA-N
MW362.16 g/mol
LogP4.00
Rot. Bonds9

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

N-[1-(3-bromofuran-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine (PubChem CID 103475946) has the molecular formula C12H16BrF4NO2 and a molecular weight of 362.16 g/mol. Its IUPAC name is N-[1-(3-bromofuran-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromofuran-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
PubChem CID103475946
Molecular FormulaC12H16BrF4NO2
Molecular Weight362.16 g/mol
Exact Mass361.03
IUPAC NameN-[1-(3-bromofuran-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)C(F)F)c1occc1Br
InChIInChI=1S/C12H16BrF4NO2/c1-2-4-18-9(10-8(13)3-5-20-10)6-19-7-12(16,17)11(14)15/h3,5,9,11,18H,2,4,6-7H2,1H3
InChIKeySZVBHICEDQKHRB-UHFFFAOYSA-N
XLogP4.00
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.16
LogP ≤ 54.00
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
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
3-[[(1S)-1-(4-bromofuran-2-yl)-2,2,2-trifluoroethyl]amino]-4-methylcyclobut-3-ene-1,2-dione
CID 58418580

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromofuran-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromofuran-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine (CID 103475946) is N-[1-(3-bromofuran-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromofuran-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromofuran-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine is CCCNC(COCC(F)(F)C(F)F)c1occc1Br.
What is the InChIKey of N-[1-(3-bromofuran-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine?
The InChIKey is SZVBHICEDQKHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF4NO2/c1-2-4-18-9(10-8(13)3-5-20-10)6-19-7-12(16,17)11(14)15/h3,5,9,11,18H,2,4,6-7H2,1H3.
What are the key properties of N-[1-(3-bromofuran-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine?
N-[1-(3-bromofuran-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine has a molecular weight of 362.16 g/mol, XLogP of 4.00, 9 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-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine is sourced from PubChem (CID 103475946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).