(2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine

C15H17FN4O — CID 164637809

IUPAC(2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine
SMILESFCC[C@H]1CN(c2ncnc(-c3ccccc3)n2)CCO1
InChIInChI=1S/C15H17FN4O/c16-7-6-13-10-20(8-9-21-13)15-18-11-17-14(19-15)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2/t13-/m0/s1
InChIKeyBBJKTRYFETUUPN-ZDUSSCGKSA-N
MW288.33 g/mol
LogP2.10
Rot. Bonds4

About (2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine

(2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine (PubChem CID 164637809) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is (2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine.

Molecular Properties

Compound Name(2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine
PubChem CID164637809
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name(2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine
SMILESFCC[C@H]1CN(c2ncnc(-c3ccccc3)n2)CCO1
InChIInChI=1S/C15H17FN4O/c16-7-6-13-10-20(8-9-21-13)15-18-11-17-14(19-15)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2/t13-/m0/s1
InChIKeyBBJKTRYFETUUPN-ZDUSSCGKSA-N
XLogP2.10
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine?
The IUPAC name of (2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine (CID 164637809) is (2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine.
What is the SMILES notation for (2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine?
The canonical SMILES for (2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine is FCC[C@H]1CN(c2ncnc(-c3ccccc3)n2)CCO1.
What is the InChIKey of (2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine?
The InChIKey is BBJKTRYFETUUPN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17FN4O/c16-7-6-13-10-20(8-9-21-13)15-18-11-17-14(19-15)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2/t13-/m0/s1.
What are the key properties of (2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine?
(2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine has a molecular weight of 288.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine is sourced from PubChem (CID 164637809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).