4-(6-fluoro-1-benzothiophene-2-carbonyl)morpholine-2-carbonitrile

C14H11FN2O2S — CID 78945682

IUPAC4-(6-fluoro-1-benzothiophene-2-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2cc3ccc(F)cc3s2)CCO1
InChIInChI=1S/C14H11FN2O2S/c15-10-2-1-9-5-13(20-12(9)6-10)14(18)17-3-4-19-11(7-16)8-17/h1-2,5-6,11H,3-4,8H2
InChIKeyJHSPBYQXZMGNEC-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.40
Rot. Bonds1

About 4-(6-fluoro-1-benzothiophene-2-carbonyl)morpholine-2-carbonitrile

4-(6-fluoro-1-benzothiophene-2-carbonyl)morpholine-2-carbonitrile (PubChem CID 78945682) has the molecular formula C14H11FN2O2S and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-(6-fluoro-1-benzothiophene-2-carbonyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(6-fluoro-1-benzothiophene-2-carbonyl)morpholine-2-carbonitrile
PubChem CID78945682
Molecular FormulaC14H11FN2O2S
Molecular Weight290.32 g/mol
Exact Mass290.05
IUPAC Name4-(6-fluoro-1-benzothiophene-2-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2cc3ccc(F)cc3s2)CCO1
InChIInChI=1S/C14H11FN2O2S/c15-10-2-1-9-5-13(20-12(9)6-10)14(18)17-3-4-19-11(7-16)8-17/h1-2,5-6,11H,3-4,8H2
InChIKeyJHSPBYQXZMGNEC-UHFFFAOYSA-N
XLogP2.40
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1-benzothiophene-2-carbonyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(6-fluoro-1-benzothiophene-2-carbonyl)morpholine-2-carbonitrile (CID 78945682) is 4-(6-fluoro-1-benzothiophene-2-carbonyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(6-fluoro-1-benzothiophene-2-carbonyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(6-fluoro-1-benzothiophene-2-carbonyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)c2cc3ccc(F)cc3s2)CCO1.
What is the InChIKey of 4-(6-fluoro-1-benzothiophene-2-carbonyl)morpholine-2-carbonitrile?
The InChIKey is JHSPBYQXZMGNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2S/c15-10-2-1-9-5-13(20-12(9)6-10)14(18)17-3-4-19-11(7-16)8-17/h1-2,5-6,11H,3-4,8H2.
What are the key properties of 4-(6-fluoro-1-benzothiophene-2-carbonyl)morpholine-2-carbonitrile?
4-(6-fluoro-1-benzothiophene-2-carbonyl)morpholine-2-carbonitrile has a molecular weight of 290.32 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1-benzothiophene-2-carbonyl)morpholine-2-carbonitrile is sourced from PubChem (CID 78945682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).