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

C11H17F2N3O — CID 55014615

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-2-yl)methanamine
SMILESFC(F)n1ccnc1CNCC1CCCCO1
InChIInChI=1S/C11H17F2N3O/c12-11(13)16-5-4-15-10(16)8-14-7-9-3-1-2-6-17-9/h4-5,9,11,14H,1-3,6-8H2
InChIKeyACQVMOGLBDVSJD-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.94
Rot. Bonds5

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

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-2-yl)methanamine (PubChem CID 55014615) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-2-yl)methanamine
PubChem CID55014615
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-2-yl)methanamine
SMILESFC(F)n1ccnc1CNCC1CCCCO1
InChIInChI=1S/C11H17F2N3O/c12-11(13)16-5-4-15-10(16)8-14-7-9-3-1-2-6-17-9/h4-5,9,11,14H,1-3,6-8H2
InChIKeyACQVMOGLBDVSJD-UHFFFAOYSA-N
XLogP1.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.94
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-(oxan-2-yl)methanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-2-yl)methanamine (CID 55014615) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-2-yl)methanamine is FC(F)n1ccnc1CNCC1CCCCO1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-2-yl)methanamine?
The InChIKey is ACQVMOGLBDVSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c12-11(13)16-5-4-15-10(16)8-14-7-9-3-1-2-6-17-9/h4-5,9,11,14H,1-3,6-8H2.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-2-yl)methanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-2-yl)methanamine has a molecular weight of 245.27 g/mol, XLogP of 1.94, 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-(oxan-2-yl)methanamine is sourced from PubChem (CID 55014615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).