1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]urea

C12H14F3N3O2 — CID 971280

IUPAC1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccccc1C(F)(F)F)NN1CCOCC1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)9-3-1-2-4-10(9)16-11(19)17-18-5-7-20-8-6-18/h1-4H,5-8H2,(H2,16,17,19)
InChIKeyNFBOTYMCMWLEPL-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.07
Rot. Bonds2

About 1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]urea

1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 971280) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID971280
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccccc1C(F)(F)F)NN1CCOCC1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)9-3-1-2-4-10(9)16-11(19)17-18-5-7-20-8-6-18/h1-4H,5-8H2,(H2,16,17,19)
InChIKeyNFBOTYMCMWLEPL-UHFFFAOYSA-N
XLogP2.07
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]urea (CID 971280) is 1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]urea is O=C(Nc1ccccc1C(F)(F)F)NN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is NFBOTYMCMWLEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-12(14,15)9-3-1-2-4-10(9)16-11(19)17-18-5-7-20-8-6-18/h1-4H,5-8H2,(H2,16,17,19).
What are the key properties of 1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]urea?
1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 289.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 971280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).