3-fluoro-3-(4-nitrophenyl)oxolane

C10H10FNO3 — CID 164678965

IUPAC3-fluoro-3-(4-nitrophenyl)oxolane
SMILESO=[N+]([O-])c1ccc(C2(F)CCOC2)cc1
InChIInChI=1S/C10H10FNO3/c11-10(5-6-15-7-10)8-1-3-9(4-2-8)12(13)14/h1-4H,5-7H2
InChIKeyLATHJIKHQZVPFT-UHFFFAOYSA-N
MW211.19 g/mol
LogP2.18
Rot. Bonds2

About 3-fluoro-3-(4-nitrophenyl)oxolane

3-fluoro-3-(4-nitrophenyl)oxolane (PubChem CID 164678965) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is 3-fluoro-3-(4-nitrophenyl)oxolane.

Molecular Properties

Compound Name3-fluoro-3-(4-nitrophenyl)oxolane
PubChem CID164678965
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name3-fluoro-3-(4-nitrophenyl)oxolane
SMILESO=[N+]([O-])c1ccc(C2(F)CCOC2)cc1
InChIInChI=1S/C10H10FNO3/c11-10(5-6-15-7-10)8-1-3-9(4-2-8)12(13)14/h1-4H,5-7H2
InChIKeyLATHJIKHQZVPFT-UHFFFAOYSA-N
XLogP2.18
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 52.18
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

3-fluoro-3-phenyloxolane
CID 84717126
[4-(4-nitrophenyl)oxan-4-yl]methanamine
CID 16641709
2-(4-nitrophenyl)-7-oxa-2-azaspiro[3.5]nonane
CID 118979580
2-[4-(3-fluorooxolan-3-yl)phenyl]-N-methylethanamine
CID 84725250
N-[(3-hydroxyoxolan-3-yl)methyl]-4-nitrobenzenesulfonamide
CID 103848059
[1-(4-nitrophenyl)cyclopropyl]methanamine
CID 16641700
3-[[2-(4-nitrophenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 64888789
N-(2,6-difluoro-4-nitrophenyl)-3-methyloxolan-3-amine
CID 113338219
5-nitrospiro[1,2-dihydroindole-3,3'-oxolane]
CID 106701917
3-[(2-amino-4-nitroanilino)methyl]oxolan-3-ol
CID 106099393
chloromethane;2-(chloromethyl)-2-(4-nitrophenyl)-1,3-dioxolane
CID 143933657
1-[1-(iodomethyl)cyclobutyl]-4-nitrobenzene
CID 59362303

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(4-nitrophenyl)oxolane?
The IUPAC name of 3-fluoro-3-(4-nitrophenyl)oxolane (CID 164678965) is 3-fluoro-3-(4-nitrophenyl)oxolane.
What is the SMILES notation for 3-fluoro-3-(4-nitrophenyl)oxolane?
The canonical SMILES for 3-fluoro-3-(4-nitrophenyl)oxolane is O=[N+]([O-])c1ccc(C2(F)CCOC2)cc1.
What is the InChIKey of 3-fluoro-3-(4-nitrophenyl)oxolane?
The InChIKey is LATHJIKHQZVPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c11-10(5-6-15-7-10)8-1-3-9(4-2-8)12(13)14/h1-4H,5-7H2.
What are the key properties of 3-fluoro-3-(4-nitrophenyl)oxolane?
3-fluoro-3-(4-nitrophenyl)oxolane has a molecular weight of 211.19 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(4-nitrophenyl)oxolane is sourced from PubChem (CID 164678965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).