3-(5-fluoro-2-nitrophenoxy)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one

C12H10FNO6 — CID 129117078

IUPAC3-(5-fluoro-2-nitrophenoxy)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one
SMILESO=C1COC2C(Oc3cc(F)ccc3[N+](=O)[O-])COC12
InChIInChI=1S/C12H10FNO6/c13-6-1-2-7(14(16)17)9(3-6)20-10-5-19-11-8(15)4-18-12(10)11/h1-3,10-12H,4-5H2
InChIKeyZRBKWMWZYFFUHE-UHFFFAOYSA-N
MW283.21 g/mol
LogP0.85
Rot. Bonds3

About 3-(5-fluoro-2-nitrophenoxy)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one

3-(5-fluoro-2-nitrophenoxy)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one (PubChem CID 129117078) has the molecular formula C12H10FNO6 and a molecular weight of 283.21 g/mol. Its IUPAC name is 3-(5-fluoro-2-nitrophenoxy)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one.

Molecular Properties

Compound Name3-(5-fluoro-2-nitrophenoxy)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one
PubChem CID129117078
Molecular FormulaC12H10FNO6
Molecular Weight283.21 g/mol
Exact Mass283.05
IUPAC Name3-(5-fluoro-2-nitrophenoxy)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one
SMILESO=C1COC2C(Oc3cc(F)ccc3[N+](=O)[O-])COC12
InChIInChI=1S/C12H10FNO6/c13-6-1-2-7(14(16)17)9(3-6)20-10-5-19-11-8(15)4-18-12(10)11/h1-3,10-12H,4-5H2
InChIKeyZRBKWMWZYFFUHE-UHFFFAOYSA-N
XLogP0.85
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Dihydro-3-(2-nitrophenoxy)-2-(3H)-furanone
CID 10751552
Diethyl (2-nitrophenoxy)propanedioate
CID 71361169
Methyl 2-(5-fluoro-2-nitrophenoxy)propanoate
CID 18952073
Ethyl 2-(5-fluoro-2-nitrophenoxy)propanoate
CID 19786322
2-[(4-Fluoro-2-nitrophenoxy)methyl]tetrahydrofuran
CID 53255575
Butyl 2-(5-fluoro-2-nitrophenoxy)propanoate
CID 53724375
methyl (2S)-2-(5-fluoro-2-nitrophenoxy)propanoate
CID 54067336
3-(5-Fluoro-2-nitrophenoxy)oxolan-2-one
CID 54523367
3-(5-Fluoro-2-nitrophenoxy)oxolane
CID 58413031
(R)-3-(5-fluoro-2-nitrophenoxy)tetrahydrofuran
CID 58413223
3-(2-Fluoro-6-nitrophenoxy)oxolane
CID 59360035
(S)-3-(5-fluoro-2-nitrophenoxy)tetrahydrofuran
CID 67395761

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-nitrophenoxy)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one?
The IUPAC name of 3-(5-fluoro-2-nitrophenoxy)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one (CID 129117078) is 3-(5-fluoro-2-nitrophenoxy)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one.
What is the SMILES notation for 3-(5-fluoro-2-nitrophenoxy)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one?
The canonical SMILES for 3-(5-fluoro-2-nitrophenoxy)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one is O=C1COC2C(Oc3cc(F)ccc3[N+](=O)[O-])COC12.
What is the InChIKey of 3-(5-fluoro-2-nitrophenoxy)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one?
The InChIKey is ZRBKWMWZYFFUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO6/c13-6-1-2-7(14(16)17)9(3-6)20-10-5-19-11-8(15)4-18-12(10)11/h1-3,10-12H,4-5H2.
What are the key properties of 3-(5-fluoro-2-nitrophenoxy)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one?
3-(5-fluoro-2-nitrophenoxy)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one has a molecular weight of 283.21 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-nitrophenoxy)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one is sourced from PubChem (CID 129117078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).