fluoro 2-(2-nitrophenyl)acetate

C8H6FNO4 — CID 174655979

IUPACfluoro 2-(2-nitrophenyl)acetate
SMILESO=C(Cc1ccccc1[N+](=O)[O-])OF
InChIInChI=1S/C8H6FNO4/c9-14-8(11)5-6-3-1-2-4-7(6)10(12)13/h1-4H,5H2
InChIKeyFAOBHTYKWPQVAJ-UHFFFAOYSA-N
MW199.14 g/mol
LogP1.57
Rot. Bonds3

About fluoro 2-(2-nitrophenyl)acetate

fluoro 2-(2-nitrophenyl)acetate (PubChem CID 174655979) has the molecular formula C8H6FNO4 and a molecular weight of 199.14 g/mol. Its IUPAC name is fluoro 2-(2-nitrophenyl)acetate.

Molecular Properties

Compound Namefluoro 2-(2-nitrophenyl)acetate
PubChem CID174655979
Molecular FormulaC8H6FNO4
Molecular Weight199.14 g/mol
Exact Mass199.03
IUPAC Namefluoro 2-(2-nitrophenyl)acetate
SMILESO=C(Cc1ccccc1[N+](=O)[O-])OF
InChIInChI=1S/C8H6FNO4/c9-14-8(11)5-6-3-1-2-4-7(6)10(12)13/h1-4H,5H2
InChIKeyFAOBHTYKWPQVAJ-UHFFFAOYSA-N
XLogP1.57
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.14
LogP ≤ 51.57
H-Bond Donors ≤ 50
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

methyl 2-(2-nitrophenyl)acetate
CID 520464
2-(2-nitrophenyl)-N-oxoacetamide
CID 174738474
(2-bromophenyl)methyl 2-(2-nitrophenyl)acetate
CID 55316012
9H-fluoren-9-yl 2-(2-nitrophenyl)acetate
CID 7832953
1,2-bis(2-nitrophenyl)ethanone
CID 2750227
[3-(2-nitrophenyl)-2-oxopropyl]azanium
CID 143919677
2-(2-nitrophenyl)-1-phenylethanone
CID 2754368
(2-nitrophenyl)methanol
CID 11923
1-methoxy-3-(2-nitrophenyl)propan-2-one
CID 63198880
(2-oxo-1-phenylethenyl) 2-(2-nitrophenyl)acetate
CID 174983557
(2-nitrophenyl)methyl carbamate
CID 21490181
1-(2-fluorophenyl)-2-(2-nitrophenyl)ethanone
CID 12909590

Frequently Asked Questions

What is the IUPAC name of fluoro 2-(2-nitrophenyl)acetate?
The IUPAC name of fluoro 2-(2-nitrophenyl)acetate (CID 174655979) is fluoro 2-(2-nitrophenyl)acetate.
What is the SMILES notation for fluoro 2-(2-nitrophenyl)acetate?
The canonical SMILES for fluoro 2-(2-nitrophenyl)acetate is O=C(Cc1ccccc1[N+](=O)[O-])OF.
What is the InChIKey of fluoro 2-(2-nitrophenyl)acetate?
The InChIKey is FAOBHTYKWPQVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO4/c9-14-8(11)5-6-3-1-2-4-7(6)10(12)13/h1-4H,5H2.
What are the key properties of fluoro 2-(2-nitrophenyl)acetate?
fluoro 2-(2-nitrophenyl)acetate has a molecular weight of 199.14 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-(2-nitrophenyl)acetate is sourced from PubChem (CID 174655979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).