2-(2,6-difluoro-3-nitrophenyl)-1,3-dioxolane

C9H7F2NO4 — CID 118095403

IUPAC2-(2,6-difluoro-3-nitrophenyl)-1,3-dioxolane
SMILESO=[N+]([O-])c1ccc(F)c(C2OCCO2)c1F
InChIInChI=1S/C9H7F2NO4/c10-5-1-2-6(12(13)14)8(11)7(5)9-15-3-4-16-9/h1-2,9H,3-4H2
InChIKeyCVKQZNNIZQYIDN-UHFFFAOYSA-N
MW231.15 g/mol
LogP1.92
Rot. Bonds2

About 2-(2,6-difluoro-3-nitrophenyl)-1,3-dioxolane

2-(2,6-difluoro-3-nitrophenyl)-1,3-dioxolane (PubChem CID 118095403) has the molecular formula C9H7F2NO4 and a molecular weight of 231.15 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-nitrophenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,6-difluoro-3-nitrophenyl)-1,3-dioxolane
PubChem CID118095403
Molecular FormulaC9H7F2NO4
Molecular Weight231.15 g/mol
Exact Mass231.03
IUPAC Name2-(2,6-difluoro-3-nitrophenyl)-1,3-dioxolane
SMILESO=[N+]([O-])c1ccc(F)c(C2OCCO2)c1F
InChIInChI=1S/C9H7F2NO4/c10-5-1-2-6(12(13)14)8(11)7(5)9-15-3-4-16-9/h1-2,9H,3-4H2
InChIKeyCVKQZNNIZQYIDN-UHFFFAOYSA-N
XLogP1.92
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.15
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-(1,3-dioxolan-2-yl)-2,4-difluorophenol
CID 21063809
3-(2,6-difluoro-3-nitrophenyl)pyrrolidine
CID 130039488
2-(2,6-difluorophenyl)-1,3-dioxolane
CID 10511746
2-(4-chloro-5-fluoro-2-nitrophenyl)-1,3-dioxepane
CID 139702515
oxan-4-yl 2,6-difluoro-3-nitrobenzoate
CID 107123586
3-bromo-1,2-difluoro-4-nitrobenzene
CID 574589
(2,6-difluoro-3-nitrophenyl)-morpholin-4-ylmethanone
CID 2781778
2,3-difluoro-6-nitro-N-(oxolan-2-ylmethyl)aniline
CID 62533651
2,6-difluoro-3-nitro-N-(oxolan-3-yl)benzamide
CID 113322130
2-(2,6-difluoro-3-nitrophenyl)-5-iodo-1,3,4-oxadiazole
CID 114771649
oxolan-2-ylmethyl 2,6-difluoro-3-nitrobenzoate
CID 103741476
ethane;7-fluoro-4-nitro-2,3-dihydroinden-1-one
CID 142529612

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-nitrophenyl)-1,3-dioxolane?
The IUPAC name of 2-(2,6-difluoro-3-nitrophenyl)-1,3-dioxolane (CID 118095403) is 2-(2,6-difluoro-3-nitrophenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2,6-difluoro-3-nitrophenyl)-1,3-dioxolane?
The canonical SMILES for 2-(2,6-difluoro-3-nitrophenyl)-1,3-dioxolane is O=[N+]([O-])c1ccc(F)c(C2OCCO2)c1F.
What is the InChIKey of 2-(2,6-difluoro-3-nitrophenyl)-1,3-dioxolane?
The InChIKey is CVKQZNNIZQYIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO4/c10-5-1-2-6(12(13)14)8(11)7(5)9-15-3-4-16-9/h1-2,9H,3-4H2.
What are the key properties of 2-(2,6-difluoro-3-nitrophenyl)-1,3-dioxolane?
2-(2,6-difluoro-3-nitrophenyl)-1,3-dioxolane has a molecular weight of 231.15 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3-nitrophenyl)-1,3-dioxolane is sourced from PubChem (CID 118095403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).