(2R)-4-[(2,6-difluorophenyl)methyl]-2-(triazol-1-ylmethyl)morpholine

C14H16F2N4O — CID 164636772

IUPAC(2R)-4-[(2,6-difluorophenyl)methyl]-2-(triazol-1-ylmethyl)morpholine
SMILESFc1cccc(F)c1CN1CCO[C@@H](Cn2ccnn2)C1
InChIInChI=1S/C14H16F2N4O/c15-13-2-1-3-14(16)12(13)10-19-6-7-21-11(8-19)9-20-5-4-17-18-20/h1-5,11H,6-10H2/t11-/m1/s1
InChIKeyDEDYCUOWAIVWII-LLVKDONJSA-N
MW294.30 g/mol
LogP1.46
Rot. Bonds4

About (2R)-4-[(2,6-difluorophenyl)methyl]-2-(triazol-1-ylmethyl)morpholine

(2R)-4-[(2,6-difluorophenyl)methyl]-2-(triazol-1-ylmethyl)morpholine (PubChem CID 164636772) has the molecular formula C14H16F2N4O and a molecular weight of 294.30 g/mol. Its IUPAC name is (2R)-4-[(2,6-difluorophenyl)methyl]-2-(triazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-[(2,6-difluorophenyl)methyl]-2-(triazol-1-ylmethyl)morpholine
PubChem CID164636772
Molecular FormulaC14H16F2N4O
Molecular Weight294.30 g/mol
Exact Mass294.13
IUPAC Name(2R)-4-[(2,6-difluorophenyl)methyl]-2-(triazol-1-ylmethyl)morpholine
SMILESFc1cccc(F)c1CN1CCO[C@@H](Cn2ccnn2)C1
InChIInChI=1S/C14H16F2N4O/c15-13-2-1-3-14(16)12(13)10-19-6-7-21-11(8-19)9-20-5-4-17-18-20/h1-5,11H,6-10H2/t11-/m1/s1
InChIKeyDEDYCUOWAIVWII-LLVKDONJSA-N
XLogP1.46
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 76684096
1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 90269112
1-[(3-Benzyltriazol-4-yl)methyl]-4-cyclobutyloxypiperidine
CID 136548193
1-[(3-fluorophenyl)methyl]-3-[(1H-1,2,3-triazol-1-yl)methyl]pyrrolidin-3-ol
CID 126802737
3-(3,4-difluorophenyl)-N,N-dimethyl-3-(triazol-1-yl)propan-1-amine
CID 44540612
1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)triazol-4-amine
CID 76684566
3-(3,4-Difluorophenyl)-5-(triazol-1-ylmethyl)-2,5-dihydro-1,2-oxazole
CID 91351742
4-[1-[(4-Fluorophenyl)methyl]triazol-4-yl]morpholine
CID 122441028
4-[1-[(2,6-Difluorophenyl)methyl]triazol-4-yl]morpholine
CID 122441032
4-[1-[(3-Fluorophenyl)methyl]triazol-4-yl]morpholine
CID 122441071
4-[1-[[4-(Trifluoromethyl)phenyl]methyl]triazol-4-yl]morpholine
CID 122441078
N-[(4-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)triazol-4-amine
CID 144663314

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2,6-difluorophenyl)methyl]-2-(triazol-1-ylmethyl)morpholine?
The IUPAC name of (2R)-4-[(2,6-difluorophenyl)methyl]-2-(triazol-1-ylmethyl)morpholine (CID 164636772) is (2R)-4-[(2,6-difluorophenyl)methyl]-2-(triazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2R)-4-[(2,6-difluorophenyl)methyl]-2-(triazol-1-ylmethyl)morpholine?
The canonical SMILES for (2R)-4-[(2,6-difluorophenyl)methyl]-2-(triazol-1-ylmethyl)morpholine is Fc1cccc(F)c1CN1CCO[C@@H](Cn2ccnn2)C1.
What is the InChIKey of (2R)-4-[(2,6-difluorophenyl)methyl]-2-(triazol-1-ylmethyl)morpholine?
The InChIKey is DEDYCUOWAIVWII-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16F2N4O/c15-13-2-1-3-14(16)12(13)10-19-6-7-21-11(8-19)9-20-5-4-17-18-20/h1-5,11H,6-10H2/t11-/m1/s1.
What are the key properties of (2R)-4-[(2,6-difluorophenyl)methyl]-2-(triazol-1-ylmethyl)morpholine?
(2R)-4-[(2,6-difluorophenyl)methyl]-2-(triazol-1-ylmethyl)morpholine has a molecular weight of 294.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2,6-difluorophenyl)methyl]-2-(triazol-1-ylmethyl)morpholine is sourced from PubChem (CID 164636772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).