2-[3-(2-fluorophenyl)morpholin-4-yl]acetonitrile

C12H13FN2O — CID 88808305

IUPAC2-[3-(2-fluorophenyl)morpholin-4-yl]acetonitrile
SMILESN#CCN1CCOCC1c1ccccc1F
InChIInChI=1S/C12H13FN2O/c13-11-4-2-1-3-10(11)12-9-16-8-7-15(12)6-5-14/h1-4,12H,6-9H2
InChIKeyHVCGFNFQGDLDJH-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.72
Rot. Bonds2

About 2-[3-(2-fluorophenyl)morpholin-4-yl]acetonitrile

2-[3-(2-fluorophenyl)morpholin-4-yl]acetonitrile (PubChem CID 88808305) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)morpholin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)morpholin-4-yl]acetonitrile
PubChem CID88808305
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name2-[3-(2-fluorophenyl)morpholin-4-yl]acetonitrile
SMILESN#CCN1CCOCC1c1ccccc1F
InChIInChI=1S/C12H13FN2O/c13-11-4-2-1-3-10(11)12-9-16-8-7-15(12)6-5-14/h1-4,12H,6-9H2
InChIKeyHVCGFNFQGDLDJH-UHFFFAOYSA-N
XLogP1.72
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)morpholin-4-yl]acetonitrile?
The IUPAC name of 2-[3-(2-fluorophenyl)morpholin-4-yl]acetonitrile (CID 88808305) is 2-[3-(2-fluorophenyl)morpholin-4-yl]acetonitrile.
What is the SMILES notation for 2-[3-(2-fluorophenyl)morpholin-4-yl]acetonitrile?
The canonical SMILES for 2-[3-(2-fluorophenyl)morpholin-4-yl]acetonitrile is N#CCN1CCOCC1c1ccccc1F.
What is the InChIKey of 2-[3-(2-fluorophenyl)morpholin-4-yl]acetonitrile?
The InChIKey is HVCGFNFQGDLDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c13-11-4-2-1-3-10(11)12-9-16-8-7-15(12)6-5-14/h1-4,12H,6-9H2.
What are the key properties of 2-[3-(2-fluorophenyl)morpholin-4-yl]acetonitrile?
2-[3-(2-fluorophenyl)morpholin-4-yl]acetonitrile has a molecular weight of 220.25 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)morpholin-4-yl]acetonitrile is sourced from PubChem (CID 88808305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).