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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Related Compounds

4-(4-bromophenyl)morpholine-3-carbonitrile
CID 117009072
4-(4-propan-2-yloxyphenyl)morpholine-3-carbonitrile
CID 117009081
4-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-3-carbonitrile
CID 117009100
N-[[4-[4-(trifluoromethyl)phenyl]morpholin-3-yl]methyl]propan-2-amine
CID 83105058
4-(2,4-dichlorophenyl)morpholine-3-carbonitrile
CID 117009102
(4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
CID 88874788
4-(3-ethylmorpholin-4-yl)-2-(trifluoromethyl)benzonitrile
CID 43613334
6-methyl-4-[4-(trifluoromethyl)phenyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 126565926
(2S)-3-(4-methylphenyl)-2-[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-oxazolidine
CID 99965271
2-bromo-1-[4-(trifluoromethyl)phenyl]piperidine
CID 151128728
(3R)-4-[(2-fluorophenyl)methyl]morpholine-3-carbonitrile
CID 129371054
4-[[4-(trifluoromethyl)phenyl]methyl]morpholine-2-carbonitrile
CID 78946009

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).