(3S,5S)-3-(5-fluoro-2-nitrophenoxy)-5-methyloxolan-2-one

C11H10FNO5 — CID 51923988

IUPAC(3S,5S)-3-(5-fluoro-2-nitrophenoxy)-5-methyloxolan-2-one
SMILESC[C@H]1C[C@H](Oc2cc(F)ccc2[N+](=O)[O-])C(=O)O1
InChIInChI=1S/C11H10FNO5/c1-6-4-10(11(14)17-6)18-9-5-7(12)2-3-8(9)13(15)16/h2-3,5-6,10H,4H2,1H3/t6-,10-/m0/s1
InChIKeyBNYDYHYCISOEPY-WKEGUHRASA-N
MW255.20 g/mol
LogP1.82
Rot. Bonds3

About (3S,5S)-3-(5-fluoro-2-nitrophenoxy)-5-methyloxolan-2-one

(3S,5S)-3-(5-fluoro-2-nitrophenoxy)-5-methyloxolan-2-one (PubChem CID 51923988) has the molecular formula C11H10FNO5 and a molecular weight of 255.20 g/mol. Its IUPAC name is (3S,5S)-3-(5-fluoro-2-nitrophenoxy)-5-methyloxolan-2-one.

Molecular Properties

Compound Name(3S,5S)-3-(5-fluoro-2-nitrophenoxy)-5-methyloxolan-2-one
PubChem CID51923988
Molecular FormulaC11H10FNO5
Molecular Weight255.20 g/mol
Exact Mass255.05
IUPAC Name(3S,5S)-3-(5-fluoro-2-nitrophenoxy)-5-methyloxolan-2-one
SMILESC[C@H]1C[C@H](Oc2cc(F)ccc2[N+](=O)[O-])C(=O)O1
InChIInChI=1S/C11H10FNO5/c1-6-4-10(11(14)17-6)18-9-5-7(12)2-3-8(9)13(15)16/h2-3,5-6,10H,4H2,1H3/t6-,10-/m0/s1
InChIKeyBNYDYHYCISOEPY-WKEGUHRASA-N
XLogP1.82
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
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'}

Analyze (3S,5S)-3-(5-fluoro-2-nitrophenoxy)-5-methyloxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-fluoro-2-nitrophenoxy)cyclopentane-1,2-diol
CID 76781849
2-(3,4-dimethoxycyclopentyl)oxy-4-fluoro-1-nitrobenzene
CID 76781895
2-(3-bromocyclobutyl)oxy-4-fluoro-1-nitrobenzene
CID 66343806
4-fluoro-2-(2-methylcyclohexyl)oxy-1-nitrobenzene
CID 67386160
2-(3-chloro-2,2-diethylcyclobutyl)oxy-4-fluoro-1-nitrobenzene
CID 66343389
2,2-diethyl-3-(5-fluoro-2-nitrophenoxy)cyclobutan-1-ol
CID 66367092
3-(5-fluoro-2-nitrophenoxy)cyclopentan-1-amine
CID 76781898
(3R,3aR,6S,6aS)-6-fluoro-3-(5-fluoro-2-nitrophenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 86718464
(3S,6R)-3-(5-fluoro-2-nitrophenoxy)-6-methoxy-3,6-dihydro-2H-pyran
CID 140791687
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
3-(5-fluoro-2-nitrophenoxy)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one
CID 129117078

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-(5-fluoro-2-nitrophenoxy)-5-methyloxolan-2-one?
The IUPAC name of (3S,5S)-3-(5-fluoro-2-nitrophenoxy)-5-methyloxolan-2-one (CID 51923988) is (3S,5S)-3-(5-fluoro-2-nitrophenoxy)-5-methyloxolan-2-one.
What is the SMILES notation for (3S,5S)-3-(5-fluoro-2-nitrophenoxy)-5-methyloxolan-2-one?
The canonical SMILES for (3S,5S)-3-(5-fluoro-2-nitrophenoxy)-5-methyloxolan-2-one is C[C@H]1C[C@H](Oc2cc(F)ccc2[N+](=O)[O-])C(=O)O1.
What is the InChIKey of (3S,5S)-3-(5-fluoro-2-nitrophenoxy)-5-methyloxolan-2-one?
The InChIKey is BNYDYHYCISOEPY-WKEGUHRASA-N. The full InChI is InChI=1S/C11H10FNO5/c1-6-4-10(11(14)17-6)18-9-5-7(12)2-3-8(9)13(15)16/h2-3,5-6,10H,4H2,1H3/t6-,10-/m0/s1.
What are the key properties of (3S,5S)-3-(5-fluoro-2-nitrophenoxy)-5-methyloxolan-2-one?
(3S,5S)-3-(5-fluoro-2-nitrophenoxy)-5-methyloxolan-2-one has a molecular weight of 255.20 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-(5-fluoro-2-nitrophenoxy)-5-methyloxolan-2-one is sourced from PubChem (CID 51923988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).