5-(2-fluoro-4-nitrophenoxy)furan-2-carbaldehyde

C11H6FNO5 — CID 65237520

IUPAC5-(2-fluoro-4-nitrophenoxy)furan-2-carbaldehyde
SMILESO=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2F)o1
InChIInChI=1S/C11H6FNO5/c12-9-5-7(13(15)16)1-3-10(9)18-11-4-2-8(6-14)17-11/h1-6H
InChIKeyVPTRRPKIIBVRQU-UHFFFAOYSA-N
MW251.17 g/mol
LogP2.93
Rot. Bonds4

About 5-(2-fluoro-4-nitrophenoxy)furan-2-carbaldehyde

5-(2-fluoro-4-nitrophenoxy)furan-2-carbaldehyde (PubChem CID 65237520) has the molecular formula C11H6FNO5 and a molecular weight of 251.17 g/mol. Its IUPAC name is 5-(2-fluoro-4-nitrophenoxy)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-fluoro-4-nitrophenoxy)furan-2-carbaldehyde
PubChem CID65237520
Molecular FormulaC11H6FNO5
Molecular Weight251.17 g/mol
Exact Mass251.02
IUPAC Name5-(2-fluoro-4-nitrophenoxy)furan-2-carbaldehyde
SMILESO=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2F)o1
InChIInChI=1S/C11H6FNO5/c12-9-5-7(13(15)16)1-3-10(9)18-11-4-2-8(6-14)17-11/h1-6H
InChIKeyVPTRRPKIIBVRQU-UHFFFAOYSA-N
XLogP2.93
TPSA82.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.17
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-nitrophenoxy)furan-2-carbaldehyde
CID 3590045
3-chloro-4-(2-fluoro-4-nitrophenoxy)benzaldehyde
CID 47453575
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
2-(2-fluoro-4-nitrophenoxy)phenol
CID 60869522
3-(2-fluoro-4-nitrophenoxy)propanal
CID 63039286
1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene
CID 101232592
1-(chloromethoxy)-2-fluoro-4-nitrobenzene
CID 79530789
5-(2-fluoro-3-methylphenoxy)furan-2-carbaldehyde
CID 107658903
1-[3-fluoro-4-(2-fluoro-4-nitrophenoxy)phenyl]ethanol
CID 61038214
10-(2-fluoro-4-nitrophenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-ol
CID 155384922
2,4-difluoro-1-(4-nitrophenoxy)benzene
CID 3015409
4-(2,6-dichloro-4-nitrophenoxy)-3-fluorobenzaldehyde
CID 62098122

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-nitrophenoxy)furan-2-carbaldehyde?
The IUPAC name of 5-(2-fluoro-4-nitrophenoxy)furan-2-carbaldehyde (CID 65237520) is 5-(2-fluoro-4-nitrophenoxy)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2-fluoro-4-nitrophenoxy)furan-2-carbaldehyde?
The canonical SMILES for 5-(2-fluoro-4-nitrophenoxy)furan-2-carbaldehyde is O=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2F)o1.
What is the InChIKey of 5-(2-fluoro-4-nitrophenoxy)furan-2-carbaldehyde?
The InChIKey is VPTRRPKIIBVRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FNO5/c12-9-5-7(13(15)16)1-3-10(9)18-11-4-2-8(6-14)17-11/h1-6H.
What are the key properties of 5-(2-fluoro-4-nitrophenoxy)furan-2-carbaldehyde?
5-(2-fluoro-4-nitrophenoxy)furan-2-carbaldehyde has a molecular weight of 251.17 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-nitrophenoxy)furan-2-carbaldehyde is sourced from PubChem (CID 65237520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).