1-(3-bromofuran-2-yl)-3-(2,2-difluoroethoxy)propan-1-amine

C9H12BrF2NO2 — CID 103149051

IUPAC1-(3-bromofuran-2-yl)-3-(2,2-difluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)F)c1occc1Br
InChIInChI=1S/C9H12BrF2NO2/c10-6-1-4-15-9(6)7(13)2-3-14-5-8(11)12/h1,4,7-8H,2-3,5,13H2
InChIKeyHXDPOQJUCKNUMQ-UHFFFAOYSA-N
MW284.10 g/mol
LogP2.71
Rot. Bonds6

About 1-(3-bromofuran-2-yl)-3-(2,2-difluoroethoxy)propan-1-amine

1-(3-bromofuran-2-yl)-3-(2,2-difluoroethoxy)propan-1-amine (PubChem CID 103149051) has the molecular formula C9H12BrF2NO2 and a molecular weight of 284.10 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-3-(2,2-difluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-3-(2,2-difluoroethoxy)propan-1-amine
PubChem CID103149051
Molecular FormulaC9H12BrF2NO2
Molecular Weight284.10 g/mol
Exact Mass283.00
IUPAC Name1-(3-bromofuran-2-yl)-3-(2,2-difluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)F)c1occc1Br
InChIInChI=1S/C9H12BrF2NO2/c10-6-1-4-15-9(6)7(13)2-3-14-5-8(11)12/h1,4,7-8H,2-3,5,13H2
InChIKeyHXDPOQJUCKNUMQ-UHFFFAOYSA-N
XLogP2.71
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-3-(2,2-difluoroethoxy)propan-1-amine
CID 103207036
1-(3-bromofuran-2-yl)hexan-1-amine
CID 115861654
1-(3-bromofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105150533
1-(3-bromofuran-2-yl)-2-methylsulfanylethanamine
CID 63942655
5-[1-amino-3-(2,2-difluoroethoxy)propyl]-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 103207561
3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 103148910
[1-(3-bromofuran-2-yl)-2-methoxyethyl]hydrazine
CID 105207395
1-(3-bromofuran-2-yl)-2-pyrrolidin-1-ylethanamine
CID 131091304
3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)propan-1-amine
CID 103148805
1-(3-bromofuran-2-yl)-2-cycloheptylethanamine
CID 115861686
1-(3-bromofuran-2-yl)-N-ethyl-3-propoxypropan-1-amine
CID 105150512
(2R)-4-(2,2-difluoroethoxy)butan-2-amine
CID 103151198

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-3-(2,2-difluoroethoxy)propan-1-amine?
The IUPAC name of 1-(3-bromofuran-2-yl)-3-(2,2-difluoroethoxy)propan-1-amine (CID 103149051) is 1-(3-bromofuran-2-yl)-3-(2,2-difluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-3-(2,2-difluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-3-(2,2-difluoroethoxy)propan-1-amine is NC(CCOCC(F)F)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-3-(2,2-difluoroethoxy)propan-1-amine?
The InChIKey is HXDPOQJUCKNUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrF2NO2/c10-6-1-4-15-9(6)7(13)2-3-14-5-8(11)12/h1,4,7-8H,2-3,5,13H2.
What are the key properties of 1-(3-bromofuran-2-yl)-3-(2,2-difluoroethoxy)propan-1-amine?
1-(3-bromofuran-2-yl)-3-(2,2-difluoroethoxy)propan-1-amine has a molecular weight of 284.10 g/mol, XLogP of 2.71, 6 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)-3-(2,2-difluoroethoxy)propan-1-amine is sourced from PubChem (CID 103149051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).