(2S)-2-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylmethyl)morpholine

C13H15FN4O — CID 70183240

IUPAC(2S)-2-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylmethyl)morpholine
SMILESFc1ccc([C@H]2CN(Cc3ncn[nH]3)CCO2)cc1
InChIInChI=1S/C13H15FN4O/c14-11-3-1-10(2-4-11)12-7-18(5-6-19-12)8-13-15-9-16-17-13/h1-4,9,12H,5-8H2,(H,15,16,17)/t12-/m1/s1
InChIKeyYNVBSYJVFTZIBY-GFCCVEGCSA-N
MW262.29 g/mol
LogP1.52
Rot. Bonds3

About (2S)-2-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylmethyl)morpholine

(2S)-2-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylmethyl)morpholine (PubChem CID 70183240) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylmethyl)morpholine
PubChem CID70183240
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name(2S)-2-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylmethyl)morpholine
SMILESFc1ccc([C@H]2CN(Cc3ncn[nH]3)CCO2)cc1
InChIInChI=1S/C13H15FN4O/c14-11-3-1-10(2-4-11)12-7-18(5-6-19-12)8-13-15-9-16-17-13/h1-4,9,12H,5-8H2,(H,15,16,17)/t12-/m1/s1
InChIKeyYNVBSYJVFTZIBY-GFCCVEGCSA-N
XLogP1.52
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylmethyl)morpholine?
The IUPAC name of (2S)-2-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylmethyl)morpholine (CID 70183240) is (2S)-2-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylmethyl)morpholine.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylmethyl)morpholine?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylmethyl)morpholine is Fc1ccc([C@H]2CN(Cc3ncn[nH]3)CCO2)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylmethyl)morpholine?
The InChIKey is YNVBSYJVFTZIBY-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-11-3-1-10(2-4-11)12-7-18(5-6-19-12)8-13-15-9-16-17-13/h1-4,9,12H,5-8H2,(H,15,16,17)/t12-/m1/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylmethyl)morpholine?
(2S)-2-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylmethyl)morpholine has a molecular weight of 262.29 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylmethyl)morpholine is sourced from PubChem (CID 70183240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).