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

C10H16F2N4O — CID 125456078

IUPAC2,2-difluoro-N-[[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methyl]ethanamine
SMILESFC(F)CNCc1cn(C[C@H]2CCOC2)nn1
InChIInChI=1S/C10H16F2N4O/c11-10(12)4-13-3-9-6-16(15-14-9)5-8-1-2-17-7-8/h6,8,10,13H,1-5,7H2/t8-/m1/s1
InChIKeyFKDATWXALSWRRY-MRVPVSSYSA-N
MW246.26 g/mol
LogP0.67
Rot. Bonds6

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

2,2-difluoro-N-[[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methyl]ethanamine (PubChem CID 125456078) has the molecular formula C10H16F2N4O and a molecular weight of 246.26 g/mol. Its IUPAC name is 2,2-difluoro-N-[[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methyl]ethanamine
PubChem CID125456078
Molecular FormulaC10H16F2N4O
Molecular Weight246.26 g/mol
Exact Mass246.13
IUPAC Name2,2-difluoro-N-[[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methyl]ethanamine
SMILESFC(F)CNCc1cn(C[C@H]2CCOC2)nn1
InChIInChI=1S/C10H16F2N4O/c11-10(12)4-13-3-9-6-16(15-14-9)5-8-1-2-17-7-8/h6,8,10,13H,1-5,7H2/t8-/m1/s1
InChIKeyFKDATWXALSWRRY-MRVPVSSYSA-N
XLogP0.67
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methyl]ethanamine (CID 125456078) is 2,2-difluoro-N-[[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methyl]ethanamine is FC(F)CNCc1cn(C[C@H]2CCOC2)nn1.
What is the InChIKey of 2,2-difluoro-N-[[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methyl]ethanamine?
The InChIKey is FKDATWXALSWRRY-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16F2N4O/c11-10(12)4-13-3-9-6-16(15-14-9)5-8-1-2-17-7-8/h6,8,10,13H,1-5,7H2/t8-/m1/s1.
What are the key properties of 2,2-difluoro-N-[[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methyl]ethanamine?
2,2-difluoro-N-[[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methyl]ethanamine has a molecular weight of 246.26 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 125456078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).