1-(3-fluoro-5-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol

C14H14FNO6 — CID 109416691

IUPAC1-(3-fluoro-5-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol
SMILESO=[N+]([O-])c1cc(F)cc(OCC(O)COCc2ccco2)c1
InChIInChI=1S/C14H14FNO6/c15-10-4-11(16(18)19)6-14(5-10)22-8-12(17)7-20-9-13-2-1-3-21-13/h1-6,12,17H,7-9H2
InChIKeyZZFAOBJEKCMMPU-UHFFFAOYSA-N
MW311.26 g/mol
LogP2.28
Rot. Bonds8

About 1-(3-fluoro-5-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol

1-(3-fluoro-5-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 109416691) has the molecular formula C14H14FNO6 and a molecular weight of 311.26 g/mol. Its IUPAC name is 1-(3-fluoro-5-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-fluoro-5-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol
PubChem CID109416691
Molecular FormulaC14H14FNO6
Molecular Weight311.26 g/mol
Exact Mass311.08
IUPAC Name1-(3-fluoro-5-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol
SMILESO=[N+]([O-])c1cc(F)cc(OCC(O)COCc2ccco2)c1
InChIInChI=1S/C14H14FNO6/c15-10-4-11(16(18)19)6-14(5-10)22-8-12(17)7-20-9-13-2-1-3-21-13/h1-6,12,17H,7-9H2
InChIKeyZZFAOBJEKCMMPU-UHFFFAOYSA-N
XLogP2.28
TPSA94.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(3-fluoro-5-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol (CID 109416691) is 1-(3-fluoro-5-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(3-fluoro-5-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(3-fluoro-5-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol is O=[N+]([O-])c1cc(F)cc(OCC(O)COCc2ccco2)c1.
What is the InChIKey of 1-(3-fluoro-5-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol?
The InChIKey is ZZFAOBJEKCMMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO6/c15-10-4-11(16(18)19)6-14(5-10)22-8-12(17)7-20-9-13-2-1-3-21-13/h1-6,12,17H,7-9H2.
What are the key properties of 1-(3-fluoro-5-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol?
1-(3-fluoro-5-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 311.26 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 109416691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).