5-fluoro-1-morpholin-4-yl-2,3-dihydroindene-1-carbonitrile

C14H15FN2O — CID 116531861

IUPAC5-fluoro-1-morpholin-4-yl-2,3-dihydroindene-1-carbonitrile
SMILESN#CC1(N2CCOCC2)CCc2cc(F)ccc21
InChIInChI=1S/C14H15FN2O/c15-12-1-2-13-11(9-12)3-4-14(13,10-16)17-5-7-18-8-6-17/h1-2,9H,3-8H2
InChIKeyWLUZEZGMIDNNAT-UHFFFAOYSA-N
MW246.28 g/mol
LogP1.82
Rot. Bonds1

About 5-fluoro-1-morpholin-4-yl-2,3-dihydroindene-1-carbonitrile

5-fluoro-1-morpholin-4-yl-2,3-dihydroindene-1-carbonitrile (PubChem CID 116531861) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 5-fluoro-1-morpholin-4-yl-2,3-dihydroindene-1-carbonitrile.

Molecular Properties

Compound Name5-fluoro-1-morpholin-4-yl-2,3-dihydroindene-1-carbonitrile
PubChem CID116531861
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name5-fluoro-1-morpholin-4-yl-2,3-dihydroindene-1-carbonitrile
SMILESN#CC1(N2CCOCC2)CCc2cc(F)ccc21
InChIInChI=1S/C14H15FN2O/c15-12-1-2-13-11(9-12)3-4-14(13,10-16)17-5-7-18-8-6-17/h1-2,9H,3-8H2
InChIKeyWLUZEZGMIDNNAT-UHFFFAOYSA-N
XLogP1.82
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 43802963
8-fluoro-5-piperidin-1-yl-3,4-dihydro-2H-1-benzoxepine-5-carbonitrile
CID 82247937
1-(ethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile
CID 116531183
5-fluoro-1-(oxan-4-yl)-2,3-dihydroinden-1-ol
CID 116531788
1-(cyclopropylmethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile
CID 116531236
1-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile
CID 116532491
6-fluorospiro[1,2-dihydroindene-3,2'-oxirane]
CID 116532256
1-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 116532488
4-(4-fluoro-2-hydroxyphenyl)oxan-4-ol
CID 117104442
1-(4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile
CID 84767283
morpholin-4-yl-(6,6',13'-trifluorospiro[1,3-benzodioxole-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-5-yl)methanone
CID 11363335
7-methyl-5-piperidin-1-yl-3,4-dihydro-2H-1-benzoxepine-5-carbonitrile
CID 82247503

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-morpholin-4-yl-2,3-dihydroindene-1-carbonitrile?
The IUPAC name of 5-fluoro-1-morpholin-4-yl-2,3-dihydroindene-1-carbonitrile (CID 116531861) is 5-fluoro-1-morpholin-4-yl-2,3-dihydroindene-1-carbonitrile.
What is the SMILES notation for 5-fluoro-1-morpholin-4-yl-2,3-dihydroindene-1-carbonitrile?
The canonical SMILES for 5-fluoro-1-morpholin-4-yl-2,3-dihydroindene-1-carbonitrile is N#CC1(N2CCOCC2)CCc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-morpholin-4-yl-2,3-dihydroindene-1-carbonitrile?
The InChIKey is WLUZEZGMIDNNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c15-12-1-2-13-11(9-12)3-4-14(13,10-16)17-5-7-18-8-6-17/h1-2,9H,3-8H2.
What are the key properties of 5-fluoro-1-morpholin-4-yl-2,3-dihydroindene-1-carbonitrile?
5-fluoro-1-morpholin-4-yl-2,3-dihydroindene-1-carbonitrile has a molecular weight of 246.28 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-morpholin-4-yl-2,3-dihydroindene-1-carbonitrile is sourced from PubChem (CID 116531861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).