2-[(3-fluoro-4-nitrophenoxy)methyl]-2-methyloxirane

C10H10FNO4 — CID 66335072

IUPAC2-[(3-fluoro-4-nitrophenoxy)methyl]-2-methyloxirane
SMILESCC1(COc2ccc([N+](=O)[O-])c(F)c2)CO1
InChIInChI=1S/C10H10FNO4/c1-10(6-16-10)5-15-7-2-3-9(12(13)14)8(11)4-7/h2-4H,5-6H2,1H3
InChIKeyHYJHIIQBVWXCHE-UHFFFAOYSA-N
MW227.19 g/mol
LogP1.90
Rot. Bonds4

About 2-[(3-fluoro-4-nitrophenoxy)methyl]-2-methyloxirane

2-[(3-fluoro-4-nitrophenoxy)methyl]-2-methyloxirane (PubChem CID 66335072) has the molecular formula C10H10FNO4 and a molecular weight of 227.19 g/mol. Its IUPAC name is 2-[(3-fluoro-4-nitrophenoxy)methyl]-2-methyloxirane.

Molecular Properties

Compound Name2-[(3-fluoro-4-nitrophenoxy)methyl]-2-methyloxirane
PubChem CID66335072
Molecular FormulaC10H10FNO4
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name2-[(3-fluoro-4-nitrophenoxy)methyl]-2-methyloxirane
SMILESCC1(COc2ccc([N+](=O)[O-])c(F)c2)CO1
InChIInChI=1S/C10H10FNO4/c1-10(6-16-10)5-15-7-2-3-9(12(13)14)8(11)4-7/h2-4H,5-6H2,1H3
InChIKeyHYJHIIQBVWXCHE-UHFFFAOYSA-N
XLogP1.90
TPSA64.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 51.90
H-Bond Donors ≤ 50
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[(3-fluoro-4-nitrophenoxy)methyl]-2-methyloxirane 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

3-[(2-methyloxiran-2-yl)methoxy]-4-nitrophenol
CID 24758510
4-(2-cyclopropyloxyethoxy)-2-fluoro-1-nitrobenzene
CID 176909165
2-fluoro-4-(4-methoxybutoxy)-1-nitrobenzene
CID 115777007
4-[(Z)-3-chloro-2-methylprop-2-enoxy]-2-fluoro-1-nitrobenzene
CID 106440888
2-[(4,5-dichloro-2-nitrophenoxy)methyl]-2-methyloxirane
CID 107499464
4-(3-bromo-2,2-dimethylpropoxy)-2-fluoro-1-nitrobenzene
CID 64995464
2-methyl-2-[[3-[(2-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane
CID 20706940
(E)-4-(3-fluoro-4-nitrophenoxy)-3-methylbut-2-enoic acid
CID 55236912
2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-methyloxirane
CID 66334604
1-cyclopropyl-2-(3-fluoro-4-nitrophenoxy)ethanone
CID 63904794
N,N-diethyl-3-(3-fluoro-4-nitrophenoxy)propan-1-amine
CID 22014733
tert-butyl-(3-fluoro-4-nitrophenoxy)-dimethylsilane
CID 90435244

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-nitrophenoxy)methyl]-2-methyloxirane?
The IUPAC name of 2-[(3-fluoro-4-nitrophenoxy)methyl]-2-methyloxirane (CID 66335072) is 2-[(3-fluoro-4-nitrophenoxy)methyl]-2-methyloxirane.
What is the SMILES notation for 2-[(3-fluoro-4-nitrophenoxy)methyl]-2-methyloxirane?
The canonical SMILES for 2-[(3-fluoro-4-nitrophenoxy)methyl]-2-methyloxirane is CC1(COc2ccc([N+](=O)[O-])c(F)c2)CO1.
What is the InChIKey of 2-[(3-fluoro-4-nitrophenoxy)methyl]-2-methyloxirane?
The InChIKey is HYJHIIQBVWXCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO4/c1-10(6-16-10)5-15-7-2-3-9(12(13)14)8(11)4-7/h2-4H,5-6H2,1H3.
What are the key properties of 2-[(3-fluoro-4-nitrophenoxy)methyl]-2-methyloxirane?
2-[(3-fluoro-4-nitrophenoxy)methyl]-2-methyloxirane has a molecular weight of 227.19 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-nitrophenoxy)methyl]-2-methyloxirane is sourced from PubChem (CID 66335072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).