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

C8H13F2N3O — CID 43111972

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nccn1C(F)F
InChIInChI=1S/C8H13F2N3O/c1-14-5-3-11-6-7-12-2-4-13(7)8(9)10/h2,4,8,11H,3,5-6H2,1H3
InChIKeyVUFCUPYNDOTSAE-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.01
Rot. Bonds6

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

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxyethanamine (PubChem CID 43111972) has the molecular formula C8H13F2N3O and a molecular weight of 205.21 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxyethanamine
PubChem CID43111972
Molecular FormulaC8H13F2N3O
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nccn1C(F)F
InChIInChI=1S/C8H13F2N3O/c1-14-5-3-11-6-7-12-2-4-13(7)8(9)10/h2,4,8,11H,3,5-6H2,1H3
InChIKeyVUFCUPYNDOTSAE-UHFFFAOYSA-N
XLogP1.01
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxyethanamine (CID 43111972) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxyethanamine is COCCNCc1nccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is VUFCUPYNDOTSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O/c1-14-5-3-11-6-7-12-2-4-13(7)8(9)10/h2,4,8,11H,3,5-6H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxyethanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 205.21 g/mol, XLogP of 1.01, 6 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]-2-methoxyethanamine is sourced from PubChem (CID 43111972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).