N-[[1-(difluoromethyl)imidazol-2-yl]methyl]oxan-4-amine

C10H15F2N3O — CID 43610158

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]oxan-4-amine
SMILESFC(F)n1ccnc1CNC1CCOCC1
InChIInChI=1S/C10H15F2N3O/c11-10(12)15-4-3-13-9(15)7-14-8-1-5-16-6-2-8/h3-4,8,10,14H,1-2,5-7H2
InChIKeyGKZBYBATIPQSHN-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.55
Rot. Bonds4

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]oxan-4-amine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]oxan-4-amine (PubChem CID 43610158) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]oxan-4-amine
PubChem CID43610158
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]oxan-4-amine
SMILESFC(F)n1ccnc1CNC1CCOCC1
InChIInChI=1S/C10H15F2N3O/c11-10(12)15-4-3-13-9(15)7-14-8-1-5-16-6-2-8/h3-4,8,10,14H,1-2,5-7H2
InChIKeyGKZBYBATIPQSHN-UHFFFAOYSA-N
XLogP1.55
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.55
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]oxan-4-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]oxan-4-amine (CID 43610158) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]oxan-4-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]oxan-4-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]oxan-4-amine is FC(F)n1ccnc1CNC1CCOCC1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]oxan-4-amine?
The InChIKey is GKZBYBATIPQSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c11-10(12)15-4-3-13-9(15)7-14-8-1-5-16-6-2-8/h3-4,8,10,14H,1-2,5-7H2.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]oxan-4-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]oxan-4-amine has a molecular weight of 231.25 g/mol, XLogP of 1.55, 4 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]oxan-4-amine is sourced from PubChem (CID 43610158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).