4-(5-fluoro-2-nitrophenoxy)cyclopentane-1,2-diol

C11H12FNO5 — CID 76781849

IUPAC4-(5-fluoro-2-nitrophenoxy)cyclopentane-1,2-diol
SMILESO=[N+]([O-])c1ccc(F)cc1OC1CC(O)C(O)C1
InChIInChI=1S/C11H12FNO5/c12-6-1-2-8(13(16)17)11(3-6)18-7-4-9(14)10(15)5-7/h1-3,7,9-10,14-15H,4-5H2
InChIKeyHVMMELFSECHNMP-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.00
Rot. Bonds3

About 4-(5-fluoro-2-nitrophenoxy)cyclopentane-1,2-diol

4-(5-fluoro-2-nitrophenoxy)cyclopentane-1,2-diol (PubChem CID 76781849) has the molecular formula C11H12FNO5 and a molecular weight of 257.22 g/mol. Its IUPAC name is 4-(5-fluoro-2-nitrophenoxy)cyclopentane-1,2-diol.

Molecular Properties

Compound Name4-(5-fluoro-2-nitrophenoxy)cyclopentane-1,2-diol
PubChem CID76781849
Molecular FormulaC11H12FNO5
Molecular Weight257.22 g/mol
Exact Mass257.07
IUPAC Name4-(5-fluoro-2-nitrophenoxy)cyclopentane-1,2-diol
SMILESO=[N+]([O-])c1ccc(F)cc1OC1CC(O)C(O)C1
InChIInChI=1S/C11H12FNO5/c12-6-1-2-8(13(16)17)11(3-6)18-7-4-9(14)10(15)5-7/h1-3,7,9-10,14-15H,4-5H2
InChIKeyHVMMELFSECHNMP-UHFFFAOYSA-N
XLogP1.00
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-(3-bromocyclobutyl)oxy-4-fluoro-1-nitrobenzene
CID 66343806
2-(3,4-dimethoxycyclopentyl)oxy-4-fluoro-1-nitrobenzene
CID 76781895
3-(5-fluoro-2-nitrophenoxy)cyclopentan-1-amine
CID 76781898
N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]acetamide
CID 58421485
2,2-diethyl-3-(5-fluoro-2-nitrophenoxy)cyclobutan-1-ol
CID 66367092
8-(5-fluoro-2-nitrophenoxy)-1,4-dioxaspiro[4.5]decane
CID 58421665
(3S,5S)-3-(5-fluoro-2-nitrophenoxy)-5-methyloxolan-2-one
CID 51923988
tert-butyl-[(1S,3R)-3-(5-fluoro-2-nitrophenoxy)cyclohexyl]oxy-dimethylsilane
CID 58421666
tert-butyl-[3-(5-fluoro-2-nitrophenoxy)cyclohexyl]oxy-dimethylsilane
CID 67385067
4-fluoro-2-(2-methylcyclohexyl)oxy-1-nitrobenzene
CID 67386160
3-(5-fluoro-2-nitrophenoxy)spiro[3.5]nonan-1-amine
CID 66357950
(3R,3aR,6S,6aS)-6-fluoro-3-(5-fluoro-2-nitrophenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 86718464

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-nitrophenoxy)cyclopentane-1,2-diol?
The IUPAC name of 4-(5-fluoro-2-nitrophenoxy)cyclopentane-1,2-diol (CID 76781849) is 4-(5-fluoro-2-nitrophenoxy)cyclopentane-1,2-diol.
What is the SMILES notation for 4-(5-fluoro-2-nitrophenoxy)cyclopentane-1,2-diol?
The canonical SMILES for 4-(5-fluoro-2-nitrophenoxy)cyclopentane-1,2-diol is O=[N+]([O-])c1ccc(F)cc1OC1CC(O)C(O)C1.
What is the InChIKey of 4-(5-fluoro-2-nitrophenoxy)cyclopentane-1,2-diol?
The InChIKey is HVMMELFSECHNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO5/c12-6-1-2-8(13(16)17)11(3-6)18-7-4-9(14)10(15)5-7/h1-3,7,9-10,14-15H,4-5H2.
What are the key properties of 4-(5-fluoro-2-nitrophenoxy)cyclopentane-1,2-diol?
4-(5-fluoro-2-nitrophenoxy)cyclopentane-1,2-diol has a molecular weight of 257.22 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-nitrophenoxy)cyclopentane-1,2-diol is sourced from PubChem (CID 76781849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).