1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentane-1-carboxylic acid

C13H14FNO5 — CID 117455172

IUPAC1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentane-1-carboxylic acid
SMILESCOc1c(F)cc([N+](=O)[O-])cc1C1(C(=O)O)CCCC1
InChIInChI=1S/C13H14FNO5/c1-20-11-9(6-8(15(18)19)7-10(11)14)13(12(16)17)4-2-3-5-13/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyAMVOCYHYRMDIPZ-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.64
Rot. Bonds4

About 1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentane-1-carboxylic acid

1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentane-1-carboxylic acid (PubChem CID 117455172) has the molecular formula C13H14FNO5 and a molecular weight of 283.25 g/mol. Its IUPAC name is 1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentane-1-carboxylic acid
PubChem CID117455172
Molecular FormulaC13H14FNO5
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentane-1-carboxylic acid
SMILESCOc1c(F)cc([N+](=O)[O-])cc1C1(C(=O)O)CCCC1
InChIInChI=1S/C13H14FNO5/c1-20-11-9(6-8(15(18)19)7-10(11)14)13(12(16)17)4-2-3-5-13/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyAMVOCYHYRMDIPZ-UHFFFAOYSA-N
XLogP2.64
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.64
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

1-(3,5-difluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117393688
1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclohexan-1-amine
CID 117424308
[1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentyl]methanamine
CID 117424334
1-fluoro-3-(1-isocyanatocyclopentyl)-2-methoxy-5-nitrobenzene
CID 117449699
1,3-difluoro-2-methoxy-5-nitrobenzene
CID 605060
1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopentane-1-carboxylic acid
CID 117453646
1-fluoro-3-(1-isocyanatocyclobutyl)-2-methoxy-5-nitrobenzene
CID 117419254
1-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117437881
1-(3-fluoro-2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117490420
1-(2-amino-5-nitrophenyl)cyclohexane-1-carboxylic acid
CID 106702474
1-(3-fluoro-2-methoxy-5-nitrophenyl)ethanone
CID 117303485
1-(5-fluoro-2-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid
CID 117419827

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentane-1-carboxylic acid (CID 117455172) is 1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentane-1-carboxylic acid is COc1c(F)cc([N+](=O)[O-])cc1C1(C(=O)O)CCCC1.
What is the InChIKey of 1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentane-1-carboxylic acid?
The InChIKey is AMVOCYHYRMDIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO5/c1-20-11-9(6-8(15(18)19)7-10(11)14)13(12(16)17)4-2-3-5-13/h6-7H,2-5H2,1H3,(H,16,17).
What are the key properties of 1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentane-1-carboxylic acid?
1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentane-1-carboxylic acid has a molecular weight of 283.25 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117455172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).