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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Related Compounds

4-(6-fluoro-1-benzothiophene-2-carbonyl)morpholine-2-carboxylic acid
CID 81115536
1-(6-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carbonitrile
CID 78986209
(2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carbonitrile
CID 95150517
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81105088
4-(5-fluoro-2-methylbenzoyl)morpholine-2-carbonitrile
CID 78945949
2-[4-(6-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetonitrile
CID 79076647
4-(5-bromo-4-methylthiophene-2-carbonyl)morpholine-2-carbonitrile
CID 79965069
[3-(chloromethyl)pyrrolidin-1-yl]-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81105163
4-(3,4-difluorobenzoyl)morpholine-2-carbonitrile
CID 78945954
[3-(bromomethyl)piperidin-1-yl]-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81104825
1-(6-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carbothioamide
CID 81115576
(6-fluoro-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874928

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).