3-fluoro-2-(oxiran-2-yl)-3,4-dihydro-2H-chromene

C11H11FO2 — CID 87716136

IUPAC3-fluoro-2-(oxiran-2-yl)-3,4-dihydro-2H-chromene
SMILESFC1Cc2ccccc2OC1C1CO1
InChIInChI=1S/C11H11FO2/c12-8-5-7-3-1-2-4-9(7)14-11(8)10-6-13-10/h1-4,8,10-11H,5-6H2
InChIKeyJFRNWHXRLXTDJI-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.73
Rot. Bonds1

About 3-fluoro-2-(oxiran-2-yl)-3,4-dihydro-2H-chromene

3-fluoro-2-(oxiran-2-yl)-3,4-dihydro-2H-chromene (PubChem CID 87716136) has the molecular formula C11H11FO2 and a molecular weight of 194.21 g/mol. Its IUPAC name is 3-fluoro-2-(oxiran-2-yl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name3-fluoro-2-(oxiran-2-yl)-3,4-dihydro-2H-chromene
PubChem CID87716136
Molecular FormulaC11H11FO2
Molecular Weight194.21 g/mol
Exact Mass194.07
IUPAC Name3-fluoro-2-(oxiran-2-yl)-3,4-dihydro-2H-chromene
SMILESFC1Cc2ccccc2OC1C1CO1
InChIInChI=1S/C11H11FO2/c12-8-5-7-3-1-2-4-9(7)14-11(8)10-6-13-10/h1-4,8,10-11H,5-6H2
InChIKeyJFRNWHXRLXTDJI-UHFFFAOYSA-N
XLogP1.73
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-chromene
CID 102531823
(2S)-2-methyl-2,3-dihydro-1-benzofuran
CID 7359194
ethane;2-methyl-2,3-dihydro-1-benzofuran
CID 91201191
2-methyl-2,3-dihydro-1-benzofuran;hydrochloride
CID 140983033
2-(2,3-dihydro-1-benzofuran-2-yloxy)-2,3-dihydro-1-benzofuran
CID 141494983
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
(4aS,9aS)-2,3,4,4a,9,9a-hexahydro-1H-xanthene
CID 101459378
2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3,5,7,12,14,16-hexaene
CID 123821193
4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione
CID 63777403
(2R,3S)-2,3-dimethyl-3,4-dihydro-2H-chromene;ethane
CID 90989077
(3R)-3-[(2S)-oxiran-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 12736709
N-ethyl-N-methyl-2,3-dihydro-1-benzofuran-2-amine
CID 70261253

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(oxiran-2-yl)-3,4-dihydro-2H-chromene?
The IUPAC name of 3-fluoro-2-(oxiran-2-yl)-3,4-dihydro-2H-chromene (CID 87716136) is 3-fluoro-2-(oxiran-2-yl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 3-fluoro-2-(oxiran-2-yl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 3-fluoro-2-(oxiran-2-yl)-3,4-dihydro-2H-chromene is FC1Cc2ccccc2OC1C1CO1.
What is the InChIKey of 3-fluoro-2-(oxiran-2-yl)-3,4-dihydro-2H-chromene?
The InChIKey is JFRNWHXRLXTDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c12-8-5-7-3-1-2-4-9(7)14-11(8)10-6-13-10/h1-4,8,10-11H,5-6H2.
What are the key properties of 3-fluoro-2-(oxiran-2-yl)-3,4-dihydro-2H-chromene?
3-fluoro-2-(oxiran-2-yl)-3,4-dihydro-2H-chromene has a molecular weight of 194.21 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(oxiran-2-yl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 87716136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).