1-fluoro-3-nitro-5-(2-propoxyethoxy)benzene

C11H14FNO4 — CID 80752062

IUPAC1-fluoro-3-nitro-5-(2-propoxyethoxy)benzene
SMILESCCCOCCOc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H14FNO4/c1-2-3-16-4-5-17-11-7-9(12)6-10(8-11)13(14)15/h6-8H,2-5H2,1H3
InChIKeyZDRPRJRVGMUJDI-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.54
Rot. Bonds7

About 1-fluoro-3-nitro-5-(2-propoxyethoxy)benzene

1-fluoro-3-nitro-5-(2-propoxyethoxy)benzene (PubChem CID 80752062) has the molecular formula C11H14FNO4 and a molecular weight of 243.23 g/mol. Its IUPAC name is 1-fluoro-3-nitro-5-(2-propoxyethoxy)benzene.

Molecular Properties

Compound Name1-fluoro-3-nitro-5-(2-propoxyethoxy)benzene
PubChem CID80752062
Molecular FormulaC11H14FNO4
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name1-fluoro-3-nitro-5-(2-propoxyethoxy)benzene
SMILESCCCOCCOc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H14FNO4/c1-2-3-16-4-5-17-11-7-9(12)6-10(8-11)13(14)15/h6-8H,2-5H2,1H3
InChIKeyZDRPRJRVGMUJDI-UHFFFAOYSA-N
XLogP2.54
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.54
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

N-ethyl-2-(3-fluoro-5-nitrophenoxy)ethanamine
CID 62347822
3-(2-butoxyethoxy)-N-methyl-5-nitroaniline
CID 80862243
1-fluoro-3-nitro-5-(2,2,2-trifluoroethoxy)benzene
CID 80753207
1-(cyclopropylmethoxy)-3-fluoro-5-nitrobenzene
CID 80752883
1-fluoro-3-(2-methylbutan-2-yloxy)-5-nitrobenzene
CID 80752056
N-(2-butoxyethyl)-3-fluoro-5-nitroaniline
CID 61176811
N-(2-methoxyethyl)-3-nitro-5-propoxyaniline
CID 80723800
1-(3,5-dimethoxyphenoxy)-3-fluoro-5-nitrobenzene
CID 80752219
1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 13072768
N-(3-methylbutyl)-3-nitro-5-propoxyaniline
CID 80723536
3-[2-(2-methylpropoxy)ethoxy]-5-nitroaniline
CID 106451411
3-[3-fluoro-5-(2-propoxyethoxy)phenyl]prop-2-yn-1-ol
CID 106455448

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-nitro-5-(2-propoxyethoxy)benzene?
The IUPAC name of 1-fluoro-3-nitro-5-(2-propoxyethoxy)benzene (CID 80752062) is 1-fluoro-3-nitro-5-(2-propoxyethoxy)benzene.
What is the SMILES notation for 1-fluoro-3-nitro-5-(2-propoxyethoxy)benzene?
The canonical SMILES for 1-fluoro-3-nitro-5-(2-propoxyethoxy)benzene is CCCOCCOc1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of 1-fluoro-3-nitro-5-(2-propoxyethoxy)benzene?
The InChIKey is ZDRPRJRVGMUJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4/c1-2-3-16-4-5-17-11-7-9(12)6-10(8-11)13(14)15/h6-8H,2-5H2,1H3.
What are the key properties of 1-fluoro-3-nitro-5-(2-propoxyethoxy)benzene?
1-fluoro-3-nitro-5-(2-propoxyethoxy)benzene has a molecular weight of 243.23 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-nitro-5-(2-propoxyethoxy)benzene is sourced from PubChem (CID 80752062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).