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

C12H11F3N2O — CID 117009087

IUPAC4-[4-(trifluoromethyl)phenyl]morpholine-3-carbonitrile
SMILESN#CC1COCCN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)9-1-3-10(4-2-9)17-5-6-18-8-11(17)7-16/h1-4,11H,5-6,8H2
InChIKeyRVNJHCRXKPPENP-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.43
Rot. Bonds1

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

4-[4-(trifluoromethyl)phenyl]morpholine-3-carbonitrile (PubChem CID 117009087) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]morpholine-3-carbonitrile.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]morpholine-3-carbonitrile
PubChem CID117009087
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name4-[4-(trifluoromethyl)phenyl]morpholine-3-carbonitrile
SMILESN#CC1COCCN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)9-1-3-10(4-2-9)17-5-6-18-8-11(17)7-16/h1-4,11H,5-6,8H2
InChIKeyRVNJHCRXKPPENP-UHFFFAOYSA-N
XLogP2.43
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]morpholine-3-carbonitrile?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]morpholine-3-carbonitrile (CID 117009087) is 4-[4-(trifluoromethyl)phenyl]morpholine-3-carbonitrile.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]morpholine-3-carbonitrile?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]morpholine-3-carbonitrile is N#CC1COCCN1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]morpholine-3-carbonitrile?
The InChIKey is RVNJHCRXKPPENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c13-12(14,15)9-1-3-10(4-2-9)17-5-6-18-8-11(17)7-16/h1-4,11H,5-6,8H2.
What are the key properties of 4-[4-(trifluoromethyl)phenyl]morpholine-3-carbonitrile?
4-[4-(trifluoromethyl)phenyl]morpholine-3-carbonitrile has a molecular weight of 256.23 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]morpholine-3-carbonitrile is sourced from PubChem (CID 117009087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).