4-[difluoro(phenyl)methyl]morpholine

C11H13F2NO — CID 57486611

IUPAC4-[difluoro(phenyl)methyl]morpholine
SMILESFC(F)(c1ccccc1)N1CCOCC1
InChIInChI=1S/C11H13F2NO/c12-11(13,10-4-2-1-3-5-10)14-6-8-15-9-7-14/h1-5H,6-9H2
InChIKeyHGLBLIITEAHPLH-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.07
Rot. Bonds2

About 4-[difluoro(phenyl)methyl]morpholine

4-[difluoro(phenyl)methyl]morpholine (PubChem CID 57486611) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 4-[difluoro(phenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[difluoro(phenyl)methyl]morpholine
PubChem CID57486611
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name4-[difluoro(phenyl)methyl]morpholine
SMILESFC(F)(c1ccccc1)N1CCOCC1
InChIInChI=1S/C11H13F2NO/c12-11(13,10-4-2-1-3-5-10)14-6-8-15-9-7-14/h1-5H,6-9H2
InChIKeyHGLBLIITEAHPLH-UHFFFAOYSA-N
XLogP2.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

13-(Phenylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 130398
Morpholino(phenyl)acetonitrile
CID 85812
4-(3-Phenylpropyl)morpholine
CID 782728
Thiobenzoylmorpholine
CID 16244
4-((Morpholin-4-yl)methyl)benzonitrile
CID 216864
3-Benzyloxazolidine
CID 319258
10-Benzyl-1,4,7-trioxa-10-azacyclododecane
CID 766194
Dimorpholinophenylmethane
CID 80899
1-(4-Fluorobenzyl)-4-(2-Hydroxyethyl)Piperazine
CID 693807
3-Morpholin-4-ylmethyl-benzylamine
CID 6484182
4-Benzylmorpholine
CID 249546
2-(4-Fluorophenyl)-2-(morpholin-4-yl)ethan-1-amine
CID 4352885

Frequently Asked Questions

What is the IUPAC name of 4-[difluoro(phenyl)methyl]morpholine?
The IUPAC name of 4-[difluoro(phenyl)methyl]morpholine (CID 57486611) is 4-[difluoro(phenyl)methyl]morpholine.
What is the SMILES notation for 4-[difluoro(phenyl)methyl]morpholine?
The canonical SMILES for 4-[difluoro(phenyl)methyl]morpholine is FC(F)(c1ccccc1)N1CCOCC1.
What is the InChIKey of 4-[difluoro(phenyl)methyl]morpholine?
The InChIKey is HGLBLIITEAHPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-11(13,10-4-2-1-3-5-10)14-6-8-15-9-7-14/h1-5H,6-9H2.
What are the key properties of 4-[difluoro(phenyl)methyl]morpholine?
4-[difluoro(phenyl)methyl]morpholine has a molecular weight of 213.23 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[difluoro(phenyl)methyl]morpholine is sourced from PubChem (CID 57486611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).