1-cyclopropyloxy-4-ethyl-5-fluoro-2-nitrobenzene

C11H12FNO3 — CID 159333833

IUPAC1-cyclopropyloxy-4-ethyl-5-fluoro-2-nitrobenzene
SMILESCCc1cc([N+](=O)[O-])c(OC2CC2)cc1F
InChIInChI=1S/C11H12FNO3/c1-2-7-5-10(13(14)15)11(6-9(7)12)16-8-3-4-8/h5-6,8H,2-4H2,1H3
InChIKeyLFGVXXLKZWWNAT-UHFFFAOYSA-N
MW225.22 g/mol
LogP2.84
Rot. Bonds4

About 1-cyclopropyloxy-4-ethyl-5-fluoro-2-nitrobenzene

1-cyclopropyloxy-4-ethyl-5-fluoro-2-nitrobenzene (PubChem CID 159333833) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 1-cyclopropyloxy-4-ethyl-5-fluoro-2-nitrobenzene.

Molecular Properties

Compound Name1-cyclopropyloxy-4-ethyl-5-fluoro-2-nitrobenzene
PubChem CID159333833
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name1-cyclopropyloxy-4-ethyl-5-fluoro-2-nitrobenzene
SMILESCCc1cc([N+](=O)[O-])c(OC2CC2)cc1F
InChIInChI=1S/C11H12FNO3/c1-2-7-5-10(13(14)15)11(6-9(7)12)16-8-3-4-8/h5-6,8H,2-4H2,1H3
InChIKeyLFGVXXLKZWWNAT-UHFFFAOYSA-N
XLogP2.84
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 52.84
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

2-cyclopropyloxy-5-ethyl-4-fluoroaniline
CID 161010618
[4-(4-fluoro-5-methyl-2-nitrophenoxy)cyclohexyl]methanol
CID 106825684
5-cyclopropyloxy-2-fluoro-4-nitrobenzoic acid
CID 170396033
3-(4,5-difluoro-2-nitrophenoxy)azetidine
CID 139591719
4-(4-fluoro-5-methyl-2-nitrophenoxy)piperidine
CID 103594346
2-cyclopropyloxy-1-ethyl-4-nitrobenzene
CID 59026367
ethyl 4-(4-fluoro-2-nitrophenoxy)piperidine-1-carboxylate
CID 134124384
1-[3-(5-fluoro-4-iodo-2-nitrophenoxy)cyclobutyl]-N-methylmethanamine
CID 66100307
3-(5-bromo-4-fluoro-2-nitrophenoxy)cyclopentan-1-amine
CID 116739740
3-(4-chloro-5-fluoro-2-nitrophenoxy)pyrrolidine
CID 66079206
3-(4-fluoro-5-methoxy-2-nitrophenoxy)azetidine
CID 63599233
1-fluoro-5-methoxy-4-nitro-2-(propoxymethyl)benzene
CID 155692114

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyloxy-4-ethyl-5-fluoro-2-nitrobenzene?
The IUPAC name of 1-cyclopropyloxy-4-ethyl-5-fluoro-2-nitrobenzene (CID 159333833) is 1-cyclopropyloxy-4-ethyl-5-fluoro-2-nitrobenzene.
What is the SMILES notation for 1-cyclopropyloxy-4-ethyl-5-fluoro-2-nitrobenzene?
The canonical SMILES for 1-cyclopropyloxy-4-ethyl-5-fluoro-2-nitrobenzene is CCc1cc([N+](=O)[O-])c(OC2CC2)cc1F.
What is the InChIKey of 1-cyclopropyloxy-4-ethyl-5-fluoro-2-nitrobenzene?
The InChIKey is LFGVXXLKZWWNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-2-7-5-10(13(14)15)11(6-9(7)12)16-8-3-4-8/h5-6,8H,2-4H2,1H3.
What are the key properties of 1-cyclopropyloxy-4-ethyl-5-fluoro-2-nitrobenzene?
1-cyclopropyloxy-4-ethyl-5-fluoro-2-nitrobenzene has a molecular weight of 225.22 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyloxy-4-ethyl-5-fluoro-2-nitrobenzene is sourced from PubChem (CID 159333833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).