N-[(3-bromofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

C9H9BrF3NO — CID 106210704

IUPACN-[(3-bromofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NCc2occc2Br)CC1
InChIInChI=1S/C9H9BrF3NO/c10-6-1-4-15-7(6)5-14-8(2-3-8)9(11,12)13/h1,4,14H,2-3,5H2
InChIKeyGPATUKHVSHIXHM-UHFFFAOYSA-N
MW284.07 g/mol
LogP3.23
Rot. Bonds3

About N-[(3-bromofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[(3-bromofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106210704) has the molecular formula C9H9BrF3NO and a molecular weight of 284.07 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106210704
Molecular FormulaC9H9BrF3NO
Molecular Weight284.07 g/mol
Exact Mass282.98
IUPAC NameN-[(3-bromofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NCc2occc2Br)CC1
InChIInChI=1S/C9H9BrF3NO/c10-6-1-4-15-7(6)5-14-8(2-3-8)9(11,12)13/h1,4,14H,2-3,5H2
InChIKeyGPATUKHVSHIXHM-UHFFFAOYSA-N
XLogP3.23
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.07
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[(3-bromofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106210704) is N-[(3-bromofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[(3-bromofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[(3-bromofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is FC(F)(F)C1(NCc2occc2Br)CC1.
What is the InChIKey of N-[(3-bromofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is GPATUKHVSHIXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NO/c10-6-1-4-15-7(6)5-14-8(2-3-8)9(11,12)13/h1,4,14H,2-3,5H2.
What are the key properties of N-[(3-bromofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[(3-bromofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 284.07 g/mol, XLogP of 3.23, 3 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]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106210704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).