[2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone

C22H19F5N4O2 — CID 15196319

IUPAC[2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCC1N(C(=O)c2ccc(C(F)(F)F)cc2)CCOC1(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C22H19F5N4O2/c1-14-21(11-30-13-28-12-29-30,18-7-6-17(23)10-19(18)24)33-9-8-31(14)20(32)15-2-4-16(5-3-15)22(25,26)27/h2-7,10,12-14H,8-9,11H2,1H3
InChIKeyQSVFWYIWGYYGQN-UHFFFAOYSA-N
MW466.41 g/mol
LogP4.03
Rot. Bonds4

About [2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone

[2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 15196319) has the molecular formula C22H19F5N4O2 and a molecular weight of 466.41 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID15196319
Molecular FormulaC22H19F5N4O2
Molecular Weight466.41 g/mol
Exact Mass466.14
IUPAC Name[2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCC1N(C(=O)c2ccc(C(F)(F)F)cc2)CCOC1(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C22H19F5N4O2/c1-14-21(11-30-13-28-12-29-30,18-7-6-17(23)10-19(18)24)33-9-8-31(14)20(32)15-2-4-16(5-3-15)22(25,26)27/h2-7,10,12-14H,8-9,11H2,1H3
InChIKeyQSVFWYIWGYYGQN-UHFFFAOYSA-N
XLogP4.03
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 15196319) is [2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone is CC1N(C(=O)c2ccc(C(F)(F)F)cc2)CCOC1(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of [2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is QSVFWYIWGYYGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F5N4O2/c1-14-21(11-30-13-28-12-29-30,18-7-6-17(23)10-19(18)24)33-9-8-31(14)20(32)15-2-4-16(5-3-15)22(25,26)27/h2-7,10,12-14H,8-9,11H2,1H3.
What are the key properties of [2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone?
[2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 466.41 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 15196319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).