(3-fluorophenyl)-(4-nitrophenyl)methanone

C13H8FNO3 — CID 24722816

IUPAC(3-fluorophenyl)-(4-nitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1
InChIInChI=1S/C13H8FNO3/c14-11-3-1-2-10(8-11)13(16)9-4-6-12(7-5-9)15(17)18/h1-8H
InChIKeyXCFRMFKYPCTVCA-UHFFFAOYSA-N
MW245.21 g/mol
LogP2.96
Rot. Bonds3

About (3-fluorophenyl)-(4-nitrophenyl)methanone

(3-fluorophenyl)-(4-nitrophenyl)methanone (PubChem CID 24722816) has the molecular formula C13H8FNO3 and a molecular weight of 245.21 g/mol. Its IUPAC name is (3-fluorophenyl)-(4-nitrophenyl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(4-nitrophenyl)methanone
PubChem CID24722816
Molecular FormulaC13H8FNO3
Molecular Weight245.21 g/mol
Exact Mass245.05
IUPAC Name(3-fluorophenyl)-(4-nitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1
InChIInChI=1S/C13H8FNO3/c14-11-3-1-2-10(8-11)13(16)9-4-6-12(7-5-9)15(17)18/h1-8H
InChIKeyXCFRMFKYPCTVCA-UHFFFAOYSA-N
XLogP2.96
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[3-[3-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone;palladium
CID 88696344
carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577
hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 172745216
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
4-(3-nitrobenzoyl)benzoic acid
CID 803392
methanediimine;bis((4-nitrophenyl)-phenylmethanone)
CID 174915149
3-(3-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
CID 4149722
(E)-3-(3-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
CID 6021810
(4-nitrophenyl)-phenylmethanone;oxaldehydic acid
CID 175307297
(4-nitrophenyl)-phenylmethanone;propan-2-ol
CID 174454674
4-(4-nitrobenzoyl)benzoate
CID 6943506
bis[3-[2-(4-nitrophenyl)ethynyl]phenyl]methanone
CID 4517949

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(4-nitrophenyl)methanone?
The IUPAC name of (3-fluorophenyl)-(4-nitrophenyl)methanone (CID 24722816) is (3-fluorophenyl)-(4-nitrophenyl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(4-nitrophenyl)methanone?
The canonical SMILES for (3-fluorophenyl)-(4-nitrophenyl)methanone is O=C(c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)-(4-nitrophenyl)methanone?
The InChIKey is XCFRMFKYPCTVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO3/c14-11-3-1-2-10(8-11)13(16)9-4-6-12(7-5-9)15(17)18/h1-8H.
What are the key properties of (3-fluorophenyl)-(4-nitrophenyl)methanone?
(3-fluorophenyl)-(4-nitrophenyl)methanone has a molecular weight of 245.21 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(4-nitrophenyl)methanone is sourced from PubChem (CID 24722816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).