(5-fluoro-2-nitrophenoxy)-propylcarbamic acid

C10H11FN2O5 — CID 87388341

IUPAC(5-fluoro-2-nitrophenoxy)-propylcarbamic acid
SMILESCCCN(Oc1cc(F)ccc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C10H11FN2O5/c1-2-5-12(10(14)15)18-9-6-7(11)3-4-8(9)13(16)17/h3-4,6H,2,5H2,1H3,(H,14,15)
InChIKeyDEZFWWCLHXMZJC-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.42
Rot. Bonds5

About (5-fluoro-2-nitrophenoxy)-propylcarbamic acid

(5-fluoro-2-nitrophenoxy)-propylcarbamic acid (PubChem CID 87388341) has the molecular formula C10H11FN2O5 and a molecular weight of 258.20 g/mol. Its IUPAC name is (5-fluoro-2-nitrophenoxy)-propylcarbamic acid.

Molecular Properties

Compound Name(5-fluoro-2-nitrophenoxy)-propylcarbamic acid
PubChem CID87388341
Molecular FormulaC10H11FN2O5
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Name(5-fluoro-2-nitrophenoxy)-propylcarbamic acid
SMILESCCCN(Oc1cc(F)ccc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C10H11FN2O5/c1-2-5-12(10(14)15)18-9-6-7(11)3-4-8(9)13(16)17/h3-4,6H,2,5H2,1H3,(H,14,15)
InChIKeyDEZFWWCLHXMZJC-UHFFFAOYSA-N
XLogP2.42
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.42
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-nitrophenoxy)-propylcarbamic acid?
The IUPAC name of (5-fluoro-2-nitrophenoxy)-propylcarbamic acid (CID 87388341) is (5-fluoro-2-nitrophenoxy)-propylcarbamic acid.
What is the SMILES notation for (5-fluoro-2-nitrophenoxy)-propylcarbamic acid?
The canonical SMILES for (5-fluoro-2-nitrophenoxy)-propylcarbamic acid is CCCN(Oc1cc(F)ccc1[N+](=O)[O-])C(=O)O.
What is the InChIKey of (5-fluoro-2-nitrophenoxy)-propylcarbamic acid?
The InChIKey is DEZFWWCLHXMZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O5/c1-2-5-12(10(14)15)18-9-6-7(11)3-4-8(9)13(16)17/h3-4,6H,2,5H2,1H3,(H,14,15).
What are the key properties of (5-fluoro-2-nitrophenoxy)-propylcarbamic acid?
(5-fluoro-2-nitrophenoxy)-propylcarbamic acid has a molecular weight of 258.20 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-nitrophenoxy)-propylcarbamic acid is sourced from PubChem (CID 87388341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).