(2S)-2-[4-[4-(4-fluorophenyl)triazol-1-yl]phenyl]morpholine

C18H17FN4O — CID 71656893

IUPAC(2S)-2-[4-[4-(4-fluorophenyl)triazol-1-yl]phenyl]morpholine
SMILESFc1ccc(-c2cn(-c3ccc([C@H]4CNCCO4)cc3)nn2)cc1
InChIInChI=1S/C18H17FN4O/c19-15-5-1-13(2-6-15)17-12-23(22-21-17)16-7-3-14(4-8-16)18-11-20-9-10-24-18/h1-8,12,18,20H,9-11H2/t18-/m1/s1
InChIKeyLDTOYTSMHSLKNJ-GOSISDBHSA-N
MW324.36 g/mol
LogP2.73
Rot. Bonds3

About (2S)-2-[4-[4-(4-fluorophenyl)triazol-1-yl]phenyl]morpholine

(2S)-2-[4-[4-(4-fluorophenyl)triazol-1-yl]phenyl]morpholine (PubChem CID 71656893) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is (2S)-2-[4-[4-(4-fluorophenyl)triazol-1-yl]phenyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[4-[4-(4-fluorophenyl)triazol-1-yl]phenyl]morpholine
PubChem CID71656893
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name(2S)-2-[4-[4-(4-fluorophenyl)triazol-1-yl]phenyl]morpholine
SMILESFc1ccc(-c2cn(-c3ccc([C@H]4CNCCO4)cc3)nn2)cc1
InChIInChI=1S/C18H17FN4O/c19-15-5-1-13(2-6-15)17-12-23(22-21-17)16-7-3-14(4-8-16)18-11-20-9-10-24-18/h1-8,12,18,20H,9-11H2/t18-/m1/s1
InChIKeyLDTOYTSMHSLKNJ-GOSISDBHSA-N
XLogP2.73
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[4-(4-fluorophenyl)triazol-1-yl]phenyl]morpholine?
The IUPAC name of (2S)-2-[4-[4-(4-fluorophenyl)triazol-1-yl]phenyl]morpholine (CID 71656893) is (2S)-2-[4-[4-(4-fluorophenyl)triazol-1-yl]phenyl]morpholine.
What is the SMILES notation for (2S)-2-[4-[4-(4-fluorophenyl)triazol-1-yl]phenyl]morpholine?
The canonical SMILES for (2S)-2-[4-[4-(4-fluorophenyl)triazol-1-yl]phenyl]morpholine is Fc1ccc(-c2cn(-c3ccc([C@H]4CNCCO4)cc3)nn2)cc1.
What is the InChIKey of (2S)-2-[4-[4-(4-fluorophenyl)triazol-1-yl]phenyl]morpholine?
The InChIKey is LDTOYTSMHSLKNJ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-15-5-1-13(2-6-15)17-12-23(22-21-17)16-7-3-14(4-8-16)18-11-20-9-10-24-18/h1-8,12,18,20H,9-11H2/t18-/m1/s1.
What are the key properties of (2S)-2-[4-[4-(4-fluorophenyl)triazol-1-yl]phenyl]morpholine?
(2S)-2-[4-[4-(4-fluorophenyl)triazol-1-yl]phenyl]morpholine has a molecular weight of 324.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[4-(4-fluorophenyl)triazol-1-yl]phenyl]morpholine is sourced from PubChem (CID 71656893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).