[1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidin-4-yl] hypofluorite

C15H18FNO3 — CID 134242940

IUPAC[1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidin-4-yl] hypofluorite
SMILESO=C(C1CCOc2ccccc21)N1CCC(OF)CC1
InChIInChI=1S/C15H18FNO3/c16-20-11-5-8-17(9-6-11)15(18)13-7-10-19-14-4-2-1-3-12(13)14/h1-4,11,13H,5-10H2
InChIKeyXTODFCOCWPIGDG-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.44
Rot. Bonds2

About [1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidin-4-yl] hypofluorite

[1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidin-4-yl] hypofluorite (PubChem CID 134242940) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is [1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidin-4-yl] hypofluorite.

Molecular Properties

Compound Name[1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidin-4-yl] hypofluorite
PubChem CID134242940
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name[1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidin-4-yl] hypofluorite
SMILESO=C(C1CCOc2ccccc21)N1CCC(OF)CC1
InChIInChI=1S/C15H18FNO3/c16-20-11-5-8-17(9-6-11)15(18)13-7-10-19-14-4-2-1-3-12(13)14/h1-4,11,13H,5-10H2
InChIKeyXTODFCOCWPIGDG-UHFFFAOYSA-N
XLogP2.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(bromomethyl)piperidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 80678666
3,4-dihydro-2H-chromen-4-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63710835
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 81468969
3,4-dihydro-2H-chromen-4-yl-(4-ethylpiperazin-1-yl)methanone
CID 110647806
[3-(aminomethyl)pyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 55228016
3,4-dihydro-2H-chromen-4-yl-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746703
6-(3,4-dihydro-2H-chromene-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175341
tert-butyl N-[2-[1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-4-yl]ethyl]-N-methylcarbamate
CID 97254191
(3R)-1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidine-3-carboxylic acid
CID 81127945
(3S)-1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidine-3-carboxylic acid
CID 81120261
[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124556473
2-[4-(3,4-dihydro-2H-chromene-4-carbonyl)piperazin-1-yl]benzonitrile
CID 122136948

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidin-4-yl] hypofluorite?
The IUPAC name of [1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidin-4-yl] hypofluorite (CID 134242940) is [1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidin-4-yl] hypofluorite.
What is the SMILES notation for [1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidin-4-yl] hypofluorite?
The canonical SMILES for [1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidin-4-yl] hypofluorite is O=C(C1CCOc2ccccc21)N1CCC(OF)CC1.
What is the InChIKey of [1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidin-4-yl] hypofluorite?
The InChIKey is XTODFCOCWPIGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c16-20-11-5-8-17(9-6-11)15(18)13-7-10-19-14-4-2-1-3-12(13)14/h1-4,11,13H,5-10H2.
What are the key properties of [1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidin-4-yl] hypofluorite?
[1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidin-4-yl] hypofluorite has a molecular weight of 279.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidin-4-yl] hypofluorite is sourced from PubChem (CID 134242940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).