N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(furan-3-yl)methanamine

C10H11F2N3O — CID 115607613

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(furan-3-yl)methanamine
SMILESFC(F)n1ccnc1CNCc1ccoc1
InChIInChI=1S/C10H11F2N3O/c11-10(12)15-3-2-14-9(15)6-13-5-8-1-4-16-7-8/h1-4,7,10,13H,5-6H2
InChIKeyIKEUVEKXZCXTKJ-UHFFFAOYSA-N
MW227.21 g/mol
LogP2.16
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(furan-3-yl)methanamine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(furan-3-yl)methanamine (PubChem CID 115607613) has the molecular formula C10H11F2N3O and a molecular weight of 227.21 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(furan-3-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(furan-3-yl)methanamine
PubChem CID115607613
Molecular FormulaC10H11F2N3O
Molecular Weight227.21 g/mol
Exact Mass227.09
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(furan-3-yl)methanamine
SMILESFC(F)n1ccnc1CNCc1ccoc1
InChIInChI=1S/C10H11F2N3O/c11-10(12)15-3-2-14-9(15)6-13-5-8-1-4-16-7-8/h1-4,7,10,13H,5-6H2
InChIKeyIKEUVEKXZCXTKJ-UHFFFAOYSA-N
XLogP2.16
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(furan-3-yl)methanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(furan-3-yl)methanamine (CID 115607613) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(furan-3-yl)methanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(furan-3-yl)methanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(furan-3-yl)methanamine is FC(F)n1ccnc1CNCc1ccoc1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(furan-3-yl)methanamine?
The InChIKey is IKEUVEKXZCXTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O/c11-10(12)15-3-2-14-9(15)6-13-5-8-1-4-16-7-8/h1-4,7,10,13H,5-6H2.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(furan-3-yl)methanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(furan-3-yl)methanamine has a molecular weight of 227.21 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(furan-3-yl)methanamine is sourced from PubChem (CID 115607613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).