2-(2,5-difluorophenyl)-3-nitro-3,4-dihydro-2H-pyran

C11H9F2NO3 — CID 171396613

IUPAC2-(2,5-difluorophenyl)-3-nitro-3,4-dihydro-2H-pyran
SMILESO=[N+]([O-])C1CC=COC1c1cc(F)ccc1F
InChIInChI=1S/C11H9F2NO3/c12-7-3-4-9(13)8(6-7)11-10(14(15)16)2-1-5-17-11/h1,3-6,10-11H,2H2
InChIKeyXVZBHXQSIKSEJX-UHFFFAOYSA-N
MW241.19 g/mol
LogP2.59
Rot. Bonds2

About 2-(2,5-difluorophenyl)-3-nitro-3,4-dihydro-2H-pyran

2-(2,5-difluorophenyl)-3-nitro-3,4-dihydro-2H-pyran (PubChem CID 171396613) has the molecular formula C11H9F2NO3 and a molecular weight of 241.19 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-3-nitro-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-3-nitro-3,4-dihydro-2H-pyran
PubChem CID171396613
Molecular FormulaC11H9F2NO3
Molecular Weight241.19 g/mol
Exact Mass241.06
IUPAC Name2-(2,5-difluorophenyl)-3-nitro-3,4-dihydro-2H-pyran
SMILESO=[N+]([O-])C1CC=COC1c1cc(F)ccc1F
InChIInChI=1S/C11H9F2NO3/c12-7-3-4-9(13)8(6-7)11-10(14(15)16)2-1-5-17-11/h1,3-6,10-11H,2H2
InChIKeyXVZBHXQSIKSEJX-UHFFFAOYSA-N
XLogP2.59
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Phenyl-2-nitro-1,3-diacetoxypropane
CID 106664
1-(2-Fluorophenyl)-2-nitropropan-1-ol
CID 12050620
1-(o-Fluorophenyl)-2-nitro-propyl acetate
CID 12050621
(2R,3S)-2-(2,5-Difluorophenyl)tetrahydro-5-methylene-3-nitro-2H-pyran
CID 57424366
6-(2,5-Difluorophenyl)-3,4-dihydro-3-methylene-5-nitro-2H-pyran
CID 57519248
(2R,3R)-2-(2,5-difluorophenyl)-5-methylidene-3-nitrooxane
CID 72193183
3-(4-Fluorophenyl)-2-methyl-2-nitrooxirane
CID 78158671
2-Ethyl-3-(4-fluorophenyl)-2-nitrooxirane
CID 78158956
(5S,6R)-6-(2,5-difluorophenyl)-5-nitrooxan-3-ol
CID 118683881
(2R,3S)-2-(2,5-difluorophenyl)-3-nitro-3,4-dihydro-2H-pyran
CID 118683884
(1S,2R)-1-(2-fluorophenyl)-2-nitropropan-1-ol
CID 42633057
(2R,3S)-2-ethyl-3-(4-fluorophenyl)-2-nitrooxirane
CID 71723426

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-3-nitro-3,4-dihydro-2H-pyran?
The IUPAC name of 2-(2,5-difluorophenyl)-3-nitro-3,4-dihydro-2H-pyran (CID 171396613) is 2-(2,5-difluorophenyl)-3-nitro-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2-(2,5-difluorophenyl)-3-nitro-3,4-dihydro-2H-pyran?
The canonical SMILES for 2-(2,5-difluorophenyl)-3-nitro-3,4-dihydro-2H-pyran is O=[N+]([O-])C1CC=COC1c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-3-nitro-3,4-dihydro-2H-pyran?
The InChIKey is XVZBHXQSIKSEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO3/c12-7-3-4-9(13)8(6-7)11-10(14(15)16)2-1-5-17-11/h1,3-6,10-11H,2H2.
What are the key properties of 2-(2,5-difluorophenyl)-3-nitro-3,4-dihydro-2H-pyran?
2-(2,5-difluorophenyl)-3-nitro-3,4-dihydro-2H-pyran has a molecular weight of 241.19 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-3-nitro-3,4-dihydro-2H-pyran is sourced from PubChem (CID 171396613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).