3-fluoro-4-morpholin-4-ylbenzonitrile

C11H11FN2O — CID 1122303

IUPAC3-fluoro-4-morpholin-4-ylbenzonitrile
SMILESN#Cc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C11H11FN2O/c12-10-7-9(8-13)1-2-11(10)14-3-5-15-6-4-14/h1-2,7H,3-6H2
InChIKeyQRRSOXPTKLNRCM-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.53
Rot. Bonds1

About 3-fluoro-4-morpholin-4-ylbenzonitrile

3-fluoro-4-morpholin-4-ylbenzonitrile (PubChem CID 1122303) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 3-fluoro-4-morpholin-4-ylbenzonitrile.

Molecular Properties

Compound Name3-fluoro-4-morpholin-4-ylbenzonitrile
PubChem CID1122303
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name3-fluoro-4-morpholin-4-ylbenzonitrile
SMILESN#Cc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C11H11FN2O/c12-10-7-9(8-13)1-2-11(10)14-3-5-15-6-4-14/h1-2,7H,3-6H2
InChIKeyQRRSOXPTKLNRCM-UHFFFAOYSA-N
XLogP1.53
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-morpholin-4-ylbenzonitrile?
The IUPAC name of 3-fluoro-4-morpholin-4-ylbenzonitrile (CID 1122303) is 3-fluoro-4-morpholin-4-ylbenzonitrile.
What is the SMILES notation for 3-fluoro-4-morpholin-4-ylbenzonitrile?
The canonical SMILES for 3-fluoro-4-morpholin-4-ylbenzonitrile is N#Cc1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 3-fluoro-4-morpholin-4-ylbenzonitrile?
The InChIKey is QRRSOXPTKLNRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c12-10-7-9(8-13)1-2-11(10)14-3-5-15-6-4-14/h1-2,7H,3-6H2.
What are the key properties of 3-fluoro-4-morpholin-4-ylbenzonitrile?
3-fluoro-4-morpholin-4-ylbenzonitrile has a molecular weight of 206.22 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-morpholin-4-ylbenzonitrile is sourced from PubChem (CID 1122303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).