N-[(3-bromofuran-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine

C8H8BrF4NO — CID 103529690

IUPACN-[(3-bromofuran-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESFC(F)C(F)(F)CNCc1occc1Br
InChIInChI=1S/C8H8BrF4NO/c9-5-1-2-15-6(5)3-14-4-8(12,13)7(10)11/h1-2,7,14H,3-4H2
InChIKeyYKQNNSUEKJFTAZ-UHFFFAOYSA-N
MW290.05 g/mol
LogP3.03
Rot. Bonds5

About N-[(3-bromofuran-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine

N-[(3-bromofuran-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 103529690) has the molecular formula C8H8BrF4NO and a molecular weight of 290.05 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID103529690
Molecular FormulaC8H8BrF4NO
Molecular Weight290.05 g/mol
Exact Mass288.97
IUPAC NameN-[(3-bromofuran-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESFC(F)C(F)(F)CNCc1occc1Br
InChIInChI=1S/C8H8BrF4NO/c9-5-1-2-15-6(5)3-14-4-8(12,13)7(10)11/h1-2,7,14H,3-4H2
InChIKeyYKQNNSUEKJFTAZ-UHFFFAOYSA-N
XLogP3.03
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.05
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of N-[(3-bromofuran-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine (CID 103529690) is N-[(3-bromofuran-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for N-[(3-bromofuran-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for N-[(3-bromofuran-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine is FC(F)C(F)(F)CNCc1occc1Br.
What is the InChIKey of N-[(3-bromofuran-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is YKQNNSUEKJFTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF4NO/c9-5-1-2-15-6(5)3-14-4-8(12,13)7(10)11/h1-2,7,14H,3-4H2.
What are the key properties of N-[(3-bromofuran-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
N-[(3-bromofuran-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 290.05 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 103529690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).