N-[1-(5-bromofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine

C10H11BrF3NO — CID 106210586

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC(NC1(C(F)(F)F)CC1)c1ccc(Br)o1
InChIInChI=1S/C10H11BrF3NO/c1-6(7-2-3-8(11)16-7)15-9(4-5-9)10(12,13)14/h2-3,6,15H,4-5H2,1H3
InChIKeyJZIFHAOTCGOMFM-UHFFFAOYSA-N
MW298.10 g/mol
LogP3.79
Rot. Bonds3

About N-[1-(5-bromofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[1-(5-bromofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106210586) has the molecular formula C10H11BrF3NO and a molecular weight of 298.10 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106210586
Molecular FormulaC10H11BrF3NO
Molecular Weight298.10 g/mol
Exact Mass297.00
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC(NC1(C(F)(F)F)CC1)c1ccc(Br)o1
InChIInChI=1S/C10H11BrF3NO/c1-6(7-2-3-8(11)16-7)15-9(4-5-9)10(12,13)14/h2-3,6,15H,4-5H2,1H3
InChIKeyJZIFHAOTCGOMFM-UHFFFAOYSA-N
XLogP3.79
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106210586) is N-[1-(5-bromofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine is CC(NC1(C(F)(F)F)CC1)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is JZIFHAOTCGOMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NO/c1-6(7-2-3-8(11)16-7)15-9(4-5-9)10(12,13)14/h2-3,6,15H,4-5H2,1H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[1-(5-bromofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 298.10 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106210586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).