N-(2,2-difluoroethyl)-1-[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methanimine

C10H14F2N4O — CID 125457943

IUPACN-(2,2-difluoroethyl)-1-[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methanimine
SMILESFC(F)C/N=C/c1cn(C[C@H]2CCOC2)nn1
InChIInChI=1S/C10H14F2N4O/c11-10(12)4-13-3-9-6-16(15-14-9)5-8-1-2-17-7-8/h3,6,8,10H,1-2,4-5,7H2/b13-3+/t8-/m1/s1
InChIKeyRVOSKHYEAAPPFI-BOYFAHNTSA-N
MW244.24 g/mol
LogP1.00
Rot. Bonds5

About N-(2,2-difluoroethyl)-1-[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methanimine

N-(2,2-difluoroethyl)-1-[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methanimine (PubChem CID 125457943) has the molecular formula C10H14F2N4O and a molecular weight of 244.24 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methanimine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methanimine
PubChem CID125457943
Molecular FormulaC10H14F2N4O
Molecular Weight244.24 g/mol
Exact Mass244.11
IUPAC NameN-(2,2-difluoroethyl)-1-[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methanimine
SMILESFC(F)C/N=C/c1cn(C[C@H]2CCOC2)nn1
InChIInChI=1S/C10H14F2N4O/c11-10(12)4-13-3-9-6-16(15-14-9)5-8-1-2-17-7-8/h3,6,8,10H,1-2,4-5,7H2/b13-3+/t8-/m1/s1
InChIKeyRVOSKHYEAAPPFI-BOYFAHNTSA-N
XLogP1.00
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methanimine
CID 125458311
N-cyclohexyl-1-[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methanimine
CID 125458013
[1-(oxolan-3-ylmethyl)triazol-4-yl]methanol
CID 62400526
1-(oxan-4-ylmethyl)triazole-4-carbaldehyde
CID 66215990
4-(chloromethyl)-1-[[(3S)-oxolan-3-yl]methyl]triazole
CID 129367875
methyl 1-[[(3R)-oxolan-3-yl]methyl]triazole-4-carboxylate
CID 129412512
2-methyl-N-[[1-(oxolan-3-ylmethyl)triazol-4-yl]methyl]butan-2-amine
CID 155896654
N-[[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-1-amine
CID 125456676
2-methyl-N-[[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-2-amine
CID 125457580
4-(chloromethyl)-1-(oxan-4-ylmethyl)triazole
CID 62399510
4-(bromomethyl)-1-(oxan-4-ylmethyl)triazole
CID 62402137
3-methoxy-N-[[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methyl]propan-1-amine
CID 125456733

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methanimine?
The IUPAC name of N-(2,2-difluoroethyl)-1-[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methanimine (CID 125457943) is N-(2,2-difluoroethyl)-1-[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methanimine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methanimine?
The canonical SMILES for N-(2,2-difluoroethyl)-1-[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methanimine is FC(F)C/N=C/c1cn(C[C@H]2CCOC2)nn1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methanimine?
The InChIKey is RVOSKHYEAAPPFI-BOYFAHNTSA-N. The full InChI is InChI=1S/C10H14F2N4O/c11-10(12)4-13-3-9-6-16(15-14-9)5-8-1-2-17-7-8/h3,6,8,10H,1-2,4-5,7H2/b13-3+/t8-/m1/s1.
What are the key properties of N-(2,2-difluoroethyl)-1-[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methanimine?
N-(2,2-difluoroethyl)-1-[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methanimine has a molecular weight of 244.24 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methanimine is sourced from PubChem (CID 125457943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).