(2R,5R)-5-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]-2-methylmorpholine

C14H17FN4O — CID 118117845

IUPAC(2R,5R)-5-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]-2-methylmorpholine
SMILESC[C@@H]1CN[C@H](Cc2cc(-n3nccn3)ccc2F)CO1
InChIInChI=1S/C14H17FN4O/c1-10-8-16-12(9-20-10)6-11-7-13(2-3-14(11)15)19-17-4-5-18-19/h2-5,7,10,12,16H,6,8-9H2,1H3/t10-,12-/m1/s1
InChIKeyCRXYATAKVBIIQM-ZYHUDNBSSA-N
MW276.31 g/mol
LogP1.33
Rot. Bonds3

About (2R,5R)-5-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]-2-methylmorpholine

(2R,5R)-5-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]-2-methylmorpholine (PubChem CID 118117845) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is (2R,5R)-5-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]-2-methylmorpholine.

Molecular Properties

Compound Name(2R,5R)-5-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]-2-methylmorpholine
PubChem CID118117845
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name(2R,5R)-5-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]-2-methylmorpholine
SMILESC[C@@H]1CN[C@H](Cc2cc(-n3nccn3)ccc2F)CO1
InChIInChI=1S/C14H17FN4O/c1-10-8-16-12(9-20-10)6-11-7-13(2-3-14(11)15)19-17-4-5-18-19/h2-5,7,10,12,16H,6,8-9H2,1H3/t10-,12-/m1/s1
InChIKeyCRXYATAKVBIIQM-ZYHUDNBSSA-N
XLogP1.33
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]-2-methylmorpholine?
The IUPAC name of (2R,5R)-5-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]-2-methylmorpholine (CID 118117845) is (2R,5R)-5-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]-2-methylmorpholine.
What is the SMILES notation for (2R,5R)-5-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]-2-methylmorpholine?
The canonical SMILES for (2R,5R)-5-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]-2-methylmorpholine is C[C@@H]1CN[C@H](Cc2cc(-n3nccn3)ccc2F)CO1.
What is the InChIKey of (2R,5R)-5-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]-2-methylmorpholine?
The InChIKey is CRXYATAKVBIIQM-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-10-8-16-12(9-20-10)6-11-7-13(2-3-14(11)15)19-17-4-5-18-19/h2-5,7,10,12,16H,6,8-9H2,1H3/t10-,12-/m1/s1.
What are the key properties of (2R,5R)-5-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]-2-methylmorpholine?
(2R,5R)-5-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]-2-methylmorpholine has a molecular weight of 276.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]-2-methylmorpholine is sourced from PubChem (CID 118117845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).