5-cyclopropyloxy-2-fluoro-4-nitrobenzoic acid

C10H8FNO5 — CID 170396033

IUPAC5-cyclopropyloxy-2-fluoro-4-nitrobenzoic acid
SMILESO=C(O)c1cc(OC2CC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C10H8FNO5/c11-7-4-8(12(15)16)9(17-5-1-2-5)3-6(7)10(13)14/h3-5H,1-2H2,(H,13,14)
InChIKeyJAIMZWHABCWWTL-UHFFFAOYSA-N
MW241.17 g/mol
LogP1.97
Rot. Bonds4

About 5-cyclopropyloxy-2-fluoro-4-nitrobenzoic acid

5-cyclopropyloxy-2-fluoro-4-nitrobenzoic acid (PubChem CID 170396033) has the molecular formula C10H8FNO5 and a molecular weight of 241.17 g/mol. Its IUPAC name is 5-cyclopropyloxy-2-fluoro-4-nitrobenzoic acid.

Molecular Properties

Compound Name5-cyclopropyloxy-2-fluoro-4-nitrobenzoic acid
PubChem CID170396033
Molecular FormulaC10H8FNO5
Molecular Weight241.17 g/mol
Exact Mass241.04
IUPAC Name5-cyclopropyloxy-2-fluoro-4-nitrobenzoic acid
SMILESO=C(O)c1cc(OC2CC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C10H8FNO5/c11-7-4-8(12(15)16)9(17-5-1-2-5)3-6(7)10(13)14/h3-5H,1-2H2,(H,13,14)
InChIKeyJAIMZWHABCWWTL-UHFFFAOYSA-N
XLogP1.97
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 51.97
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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Related Compounds

5-cyclobutyloxy-4-fluoro-2-nitrobenzoic acid
CID 62116825
2-fluoro-5-nitro-4-(oxetan-3-yloxy)benzoic acid
CID 102605814
5-(2-cyclobutylethoxy)-2-fluoro-4-nitrobenzoic acid
CID 106200396
1-cyclopropyloxy-4-ethyl-5-fluoro-2-nitrobenzene
CID 159333833
2-fluoro-4-nitro-5-(oxan-2-ylmethoxy)benzoic acid
CID 104699154
[4-(4-fluoro-5-methyl-2-nitrophenoxy)cyclohexyl]methanol
CID 106825684
4-cyclopentyloxy-5-methoxy-2-nitrobenzoic acid
CID 43311662
2-fluoro-4-nitro-5-pentoxybenzoic acid
CID 104699187
5-but-3-ynoxy-2-fluoro-4-nitrobenzoic acid
CID 106794662
2-fluoro-4-nitro-5-sulfanylbenzoic acid
CID 104700205
2-fluoro-5-[2-(2-methoxyethoxy)ethoxy]-4-nitrobenzoic acid
CID 104699239
5-[cyclopentyl(methyl)amino]-2-fluoro-4-nitrobenzoic acid
CID 104699642

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyloxy-2-fluoro-4-nitrobenzoic acid?
The IUPAC name of 5-cyclopropyloxy-2-fluoro-4-nitrobenzoic acid (CID 170396033) is 5-cyclopropyloxy-2-fluoro-4-nitrobenzoic acid.
What is the SMILES notation for 5-cyclopropyloxy-2-fluoro-4-nitrobenzoic acid?
The canonical SMILES for 5-cyclopropyloxy-2-fluoro-4-nitrobenzoic acid is O=C(O)c1cc(OC2CC2)c([N+](=O)[O-])cc1F.
What is the InChIKey of 5-cyclopropyloxy-2-fluoro-4-nitrobenzoic acid?
The InChIKey is JAIMZWHABCWWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO5/c11-7-4-8(12(15)16)9(17-5-1-2-5)3-6(7)10(13)14/h3-5H,1-2H2,(H,13,14).
What are the key properties of 5-cyclopropyloxy-2-fluoro-4-nitrobenzoic acid?
5-cyclopropyloxy-2-fluoro-4-nitrobenzoic acid has a molecular weight of 241.17 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyloxy-2-fluoro-4-nitrobenzoic acid is sourced from PubChem (CID 170396033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).