2-fluoro-6-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]benzonitrile

C18H16F2N2O — CID 133330519

IUPAC2-fluoro-6-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]benzonitrile
SMILESCC1CN(c2cccc(F)c2C#N)CC(c2ccc(F)cc2)O1
InChIInChI=1S/C18H16F2N2O/c1-12-10-22(17-4-2-3-16(20)15(17)9-21)11-18(23-12)13-5-7-14(19)8-6-13/h2-8,12,18H,10-11H2,1H3
InChIKeyHHUCIDKSAZICEZ-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.80
Rot. Bonds2

About 2-fluoro-6-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]benzonitrile

2-fluoro-6-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]benzonitrile (PubChem CID 133330519) has the molecular formula C18H16F2N2O and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-fluoro-6-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]benzonitrile
PubChem CID133330519
Molecular FormulaC18H16F2N2O
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name2-fluoro-6-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]benzonitrile
SMILESCC1CN(c2cccc(F)c2C#N)CC(c2ccc(F)cc2)O1
InChIInChI=1S/C18H16F2N2O/c1-12-10-22(17-4-2-3-16(20)15(17)9-21)11-18(23-12)13-5-7-14(19)8-6-13/h2-8,12,18H,10-11H2,1H3
InChIKeyHHUCIDKSAZICEZ-UHFFFAOYSA-N
XLogP3.80
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-6-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]pyridine-3-carbonitrile
CID 133330522
2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-6-fluorobenzonitrile
CID 56812481
2-fluoro-6-(3-propylazetidin-1-yl)benzonitrile
CID 79687707
2-(4-fluorophenyl)-6-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine
CID 133330469
2-fluoro-6-(3-methyl-4-oxopiperidin-1-yl)benzonitrile
CID 133497507
2-[(3aS,7aS)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-6-fluorobenzonitrile
CID 139021546
2-fluoro-6-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile
CID 129005614
2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1,3-benzoxazole
CID 133330508
2-fluoro-6-piperazin-1-ylbenzonitrile;hydrochloride
CID 42935470
1-[2-fluoro-6-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)phenyl]ethanone
CID 71919483
2-[(3R)-3-aminopyrrolidin-1-yl]-6-fluorobenzonitrile
CID 94340829
2-[4-(dimethylamino)piperidin-1-yl]-6-fluorobenzonitrile
CID 78916048

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]benzonitrile?
The IUPAC name of 2-fluoro-6-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]benzonitrile (CID 133330519) is 2-fluoro-6-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]benzonitrile?
The canonical SMILES for 2-fluoro-6-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]benzonitrile is CC1CN(c2cccc(F)c2C#N)CC(c2ccc(F)cc2)O1.
What is the InChIKey of 2-fluoro-6-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]benzonitrile?
The InChIKey is HHUCIDKSAZICEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O/c1-12-10-22(17-4-2-3-16(20)15(17)9-21)11-18(23-12)13-5-7-14(19)8-6-13/h2-8,12,18H,10-11H2,1H3.
What are the key properties of 2-fluoro-6-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]benzonitrile?
2-fluoro-6-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]benzonitrile has a molecular weight of 314.34 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]benzonitrile is sourced from PubChem (CID 133330519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).