4-[3-methyl-4-(trifluoromethyl)phenyl]morpholine

C12H14F3NO — CID 70644387

IUPAC4-[3-methyl-4-(trifluoromethyl)phenyl]morpholine
SMILESCc1cc(N2CCOCC2)ccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-9-8-10(16-4-6-17-7-5-16)2-3-11(9)12(13,14)15/h2-3,8H,4-7H2,1H3
InChIKeyCXYPHBNTPCCDEU-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.85
Rot. Bonds1

About 4-[3-methyl-4-(trifluoromethyl)phenyl]morpholine

4-[3-methyl-4-(trifluoromethyl)phenyl]morpholine (PubChem CID 70644387) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 4-[3-methyl-4-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[3-methyl-4-(trifluoromethyl)phenyl]morpholine
PubChem CID70644387
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name4-[3-methyl-4-(trifluoromethyl)phenyl]morpholine
SMILESCc1cc(N2CCOCC2)ccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-9-8-10(16-4-6-17-7-5-16)2-3-11(9)12(13,14)15/h2-3,8H,4-7H2,1H3
InChIKeyCXYPHBNTPCCDEU-UHFFFAOYSA-N
XLogP2.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-4-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 4-[3-methyl-4-(trifluoromethyl)phenyl]morpholine (CID 70644387) is 4-[3-methyl-4-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 4-[3-methyl-4-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 4-[3-methyl-4-(trifluoromethyl)phenyl]morpholine is Cc1cc(N2CCOCC2)ccc1C(F)(F)F.
What is the InChIKey of 4-[3-methyl-4-(trifluoromethyl)phenyl]morpholine?
The InChIKey is CXYPHBNTPCCDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-9-8-10(16-4-6-17-7-5-16)2-3-11(9)12(13,14)15/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-[3-methyl-4-(trifluoromethyl)phenyl]morpholine?
4-[3-methyl-4-(trifluoromethyl)phenyl]morpholine has a molecular weight of 245.24 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-4-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 70644387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).