4-(2-cyclopropyloxyethoxy)-2-fluoro-1-nitrobenzene

C11H12FNO4 — CID 176909165

IUPAC4-(2-cyclopropyloxyethoxy)-2-fluoro-1-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OCCOC2CC2)cc1F
InChIInChI=1S/C11H12FNO4/c12-10-7-9(3-4-11(10)13(14)15)17-6-5-16-8-1-2-8/h3-4,7-8H,1-2,5-6H2
InChIKeyGBRSIAQGZPCSFQ-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.29
Rot. Bonds6

About 4-(2-cyclopropyloxyethoxy)-2-fluoro-1-nitrobenzene

4-(2-cyclopropyloxyethoxy)-2-fluoro-1-nitrobenzene (PubChem CID 176909165) has the molecular formula C11H12FNO4 and a molecular weight of 241.22 g/mol. Its IUPAC name is 4-(2-cyclopropyloxyethoxy)-2-fluoro-1-nitrobenzene.

Molecular Properties

Compound Name4-(2-cyclopropyloxyethoxy)-2-fluoro-1-nitrobenzene
PubChem CID176909165
Molecular FormulaC11H12FNO4
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name4-(2-cyclopropyloxyethoxy)-2-fluoro-1-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OCCOC2CC2)cc1F
InChIInChI=1S/C11H12FNO4/c12-10-7-9(3-4-11(10)13(14)15)17-6-5-16-8-1-2-8/h3-4,7-8H,1-2,5-6H2
InChIKeyGBRSIAQGZPCSFQ-UHFFFAOYSA-N
XLogP2.29
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-(4-methoxybutoxy)-1-nitrobenzene
CID 115777007
1-cyclopropyl-2-(3-fluoro-4-nitrophenoxy)ethanone
CID 63904794
2-[(3-fluoro-4-nitrophenoxy)methyl]-2-methyloxirane
CID 66335072
N,N-diethyl-3-(3-fluoro-4-nitrophenoxy)propan-1-amine
CID 22014733
4-(3-bromocyclobutyl)oxy-2-fluoro-1-nitrobenzene
CID 66344105
4-(3-fluoro-4-nitrophenoxy)-2,2-dimethylbutanoic acid
CID 65247608
4-(2,2-difluoro-2-phenylethoxy)-2-fluoro-1-nitrobenzene
CID 116790912
[4-[(3-fluoro-4-nitrophenyl)methoxy]cyclohexyl]methanol
CID 106825550
4-(3-bromo-2,2-dimethylpropoxy)-2-fluoro-1-nitrobenzene
CID 64995464
methyl 2-amino-2-cyclopropyl-3-(3-fluoro-4-nitrophenoxy)propanoate
CID 63920916
1-(3-fluoro-4-nitrophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 115476072
[6-(3-fluoro-4-nitrophenoxy)-2-methylhexan-2-yl]carbamic acid
CID 175236486

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyloxyethoxy)-2-fluoro-1-nitrobenzene?
The IUPAC name of 4-(2-cyclopropyloxyethoxy)-2-fluoro-1-nitrobenzene (CID 176909165) is 4-(2-cyclopropyloxyethoxy)-2-fluoro-1-nitrobenzene.
What is the SMILES notation for 4-(2-cyclopropyloxyethoxy)-2-fluoro-1-nitrobenzene?
The canonical SMILES for 4-(2-cyclopropyloxyethoxy)-2-fluoro-1-nitrobenzene is O=[N+]([O-])c1ccc(OCCOC2CC2)cc1F.
What is the InChIKey of 4-(2-cyclopropyloxyethoxy)-2-fluoro-1-nitrobenzene?
The InChIKey is GBRSIAQGZPCSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4/c12-10-7-9(3-4-11(10)13(14)15)17-6-5-16-8-1-2-8/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 4-(2-cyclopropyloxyethoxy)-2-fluoro-1-nitrobenzene?
4-(2-cyclopropyloxyethoxy)-2-fluoro-1-nitrobenzene has a molecular weight of 241.22 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyloxyethoxy)-2-fluoro-1-nitrobenzene is sourced from PubChem (CID 176909165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).