3-(3-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one

C15H10FNO3 — CID 4149722

IUPAC3-(3-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
SMILESO=C(C=Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H10FNO3/c16-13-3-1-2-11(10-13)4-9-15(18)12-5-7-14(8-6-12)17(19)20/h1-10H
InChIKeyGJELHMVLECRVNP-UHFFFAOYSA-N
MW271.25 g/mol
LogP3.63
Rot. Bonds4

About 3-(3-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one

3-(3-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one (PubChem CID 4149722) has the molecular formula C15H10FNO3 and a molecular weight of 271.25 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
PubChem CID4149722
Molecular FormulaC15H10FNO3
Molecular Weight271.25 g/mol
Exact Mass271.06
IUPAC Name3-(3-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
SMILESO=C(C=Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H10FNO3/c16-13-3-1-2-11(10-13)4-9-15(18)12-5-7-14(8-6-12)17(19)20/h1-10H
InChIKeyGJELHMVLECRVNP-UHFFFAOYSA-N
XLogP3.63
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
CID 6021810
(4-nitrophenyl) (E)-3-(3-fluorophenyl)prop-2-enoate
CID 8764606
1-(4-chloro-3-nitrophenyl)-3-(3-fluorophenyl)prop-2-en-1-one
CID 4644642
(E)-1-(3,4-difluorophenyl)-3-(3-nitrophenyl)prop-2-en-1-one
CID 7514637
(E)-4-(3-fluorophenyl)-2-[(4-nitrophenyl)methylidene]-1-phenylbut-3-en-1-one
CID 146167167
2,2,2-trifluoro-N-[3-[(E)-3-(4-nitrophenyl)-3-oxoprop-1-enyl]phenyl]acetamide
CID 46677879
3-(3,5-difluorophenyl)-1-(3-nitrophenyl)prop-2-en-1-one
CID 2781616
1-(4-ethylphenyl)-3-(3-fluorophenyl)prop-2-en-1-one
CID 131632623
3-(3-nitrophenyl)-1-phenylprop-2-en-1-one;dihydrobromide
CID 131882350
(E)-3-(3,4-dichlorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
CID 6297637
1-(4-tert-butylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
CID 5097117
(Z)-1-(4-tert-butylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
CID 92959069

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one?
The IUPAC name of 3-(3-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one (CID 4149722) is 3-(3-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(3-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one?
The canonical SMILES for 3-(3-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one is O=C(C=Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-(3-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one?
The InChIKey is GJELHMVLECRVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3/c16-13-3-1-2-11(10-13)4-9-15(18)12-5-7-14(8-6-12)17(19)20/h1-10H.
What are the key properties of 3-(3-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one?
3-(3-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one has a molecular weight of 271.25 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one is sourced from PubChem (CID 4149722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).