(3R)-3-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine

C13H15FN4O — CID 118936077

IUPAC(3R)-3-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine
SMILESFc1ccc(-n2nccn2)cc1C[C@@H]1COCCN1
InChIInChI=1S/C13H15FN4O/c14-13-2-1-12(18-16-3-4-17-18)8-10(13)7-11-9-19-6-5-15-11/h1-4,8,11,15H,5-7,9H2/t11-/m1/s1
InChIKeyDYGVMJWUOXCDRX-LLVKDONJSA-N
MW262.29 g/mol
LogP0.94
Rot. Bonds3

About (3R)-3-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine

(3R)-3-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine (PubChem CID 118936077) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is (3R)-3-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name(3R)-3-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine
PubChem CID118936077
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name(3R)-3-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine
SMILESFc1ccc(-n2nccn2)cc1C[C@@H]1COCCN1
InChIInChI=1S/C13H15FN4O/c14-13-2-1-12(18-16-3-4-17-18)8-10(13)7-11-9-19-6-5-15-11/h1-4,8,11,15H,5-7,9H2/t11-/m1/s1
InChIKeyDYGVMJWUOXCDRX-LLVKDONJSA-N
XLogP0.94
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine?
The IUPAC name of (3R)-3-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine (CID 118936077) is (3R)-3-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine.
What is the SMILES notation for (3R)-3-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine?
The canonical SMILES for (3R)-3-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine is Fc1ccc(-n2nccn2)cc1C[C@@H]1COCCN1.
What is the InChIKey of (3R)-3-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine?
The InChIKey is DYGVMJWUOXCDRX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-13-2-1-12(18-16-3-4-17-18)8-10(13)7-11-9-19-6-5-15-11/h1-4,8,11,15H,5-7,9H2/t11-/m1/s1.
What are the key properties of (3R)-3-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine?
(3R)-3-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine has a molecular weight of 262.29 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine is sourced from PubChem (CID 118936077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).