1-cyclopentyl-3-(3-fluoro-5-nitrophenyl)propan-1-one

C14H16FNO3 — CID 113390081

IUPAC1-cyclopentyl-3-(3-fluoro-5-nitrophenyl)propan-1-one
SMILESO=C(CCc1cc(F)cc([N+](=O)[O-])c1)C1CCCC1
InChIInChI=1S/C14H16FNO3/c15-12-7-10(8-13(9-12)16(18)19)5-6-14(17)11-3-1-2-4-11/h7-9,11H,1-6H2
InChIKeyYKAVNDIGJMOOCH-UHFFFAOYSA-N
MW265.28 g/mol
LogP3.43
Rot. Bonds5

About 1-cyclopentyl-3-(3-fluoro-5-nitrophenyl)propan-1-one

1-cyclopentyl-3-(3-fluoro-5-nitrophenyl)propan-1-one (PubChem CID 113390081) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3-fluoro-5-nitrophenyl)propan-1-one.

Molecular Properties

Compound Name1-cyclopentyl-3-(3-fluoro-5-nitrophenyl)propan-1-one
PubChem CID113390081
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name1-cyclopentyl-3-(3-fluoro-5-nitrophenyl)propan-1-one
SMILESO=C(CCc1cc(F)cc([N+](=O)[O-])c1)C1CCCC1
InChIInChI=1S/C14H16FNO3/c15-12-7-10(8-13(9-12)16(18)19)5-6-14(17)11-3-1-2-4-11/h7-9,11H,1-6H2
InChIKeyYKAVNDIGJMOOCH-UHFFFAOYSA-N
XLogP3.43
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 53.43
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

1-cyclopropyl-3-(3-methoxy-5-nitrophenyl)propan-1-one
CID 81155288
1-(3-chloro-3-cyclopropylpropyl)-3-fluoro-5-nitrobenzene
CID 112649037
2-[[(3-fluoro-5-nitrophenyl)methylamino]methyl]cyclohexan-1-ol
CID 115980488
1-[(3-fluoro-5-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 112648136
1-(chloromethyl)-3-fluoro-5-nitrobenzene
CID 56924386
3-[(3-fluoro-5-nitrophenyl)methylamino]propanamide
CID 112646669
3-(4-chloro-3-fluorophenyl)-1-cyclopentylpropan-1-one
CID 107882824
1-(3-fluoro-5-nitrophenyl)-4-methylpentan-3-ol
CID 112648964
1-[(3-fluoro-5-nitrophenyl)methyl]-6-oxopiperidine-3-carboxylic acid
CID 115980744
3-[1-[(3-fluoro-5-nitrophenyl)methyl]pyrrolidin-3-yl]propanoic acid
CID 115980913
1-[1-[(3-fluoro-5-nitrophenyl)methyl]piperidin-2-yl]ethanamine
CID 115980968
N-[(3-fluoro-5-nitrophenyl)methyl]piperidin-1-amine
CID 112646860

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3-fluoro-5-nitrophenyl)propan-1-one?
The IUPAC name of 1-cyclopentyl-3-(3-fluoro-5-nitrophenyl)propan-1-one (CID 113390081) is 1-cyclopentyl-3-(3-fluoro-5-nitrophenyl)propan-1-one.
What is the SMILES notation for 1-cyclopentyl-3-(3-fluoro-5-nitrophenyl)propan-1-one?
The canonical SMILES for 1-cyclopentyl-3-(3-fluoro-5-nitrophenyl)propan-1-one is O=C(CCc1cc(F)cc([N+](=O)[O-])c1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(3-fluoro-5-nitrophenyl)propan-1-one?
The InChIKey is YKAVNDIGJMOOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c15-12-7-10(8-13(9-12)16(18)19)5-6-14(17)11-3-1-2-4-11/h7-9,11H,1-6H2.
What are the key properties of 1-cyclopentyl-3-(3-fluoro-5-nitrophenyl)propan-1-one?
1-cyclopentyl-3-(3-fluoro-5-nitrophenyl)propan-1-one has a molecular weight of 265.28 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(3-fluoro-5-nitrophenyl)propan-1-one is sourced from PubChem (CID 113390081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).