4-fluoro-2-(2-methylcyclohexyl)oxy-1-nitrobenzene

C13H16FNO3 — CID 67386160

IUPAC4-fluoro-2-(2-methylcyclohexyl)oxy-1-nitrobenzene
SMILESCC1CCCCC1Oc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H16FNO3/c1-9-4-2-3-5-12(9)18-13-8-10(14)6-7-11(13)15(16)17/h6-9,12H,2-5H2,1H3
InChIKeyIZRNZGOHQTYIBP-UHFFFAOYSA-N
MW253.27 g/mol
LogP3.69
Rot. Bonds3

About 4-fluoro-2-(2-methylcyclohexyl)oxy-1-nitrobenzene

4-fluoro-2-(2-methylcyclohexyl)oxy-1-nitrobenzene (PubChem CID 67386160) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-fluoro-2-(2-methylcyclohexyl)oxy-1-nitrobenzene.

Molecular Properties

Compound Name4-fluoro-2-(2-methylcyclohexyl)oxy-1-nitrobenzene
PubChem CID67386160
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name4-fluoro-2-(2-methylcyclohexyl)oxy-1-nitrobenzene
SMILESCC1CCCCC1Oc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H16FNO3/c1-9-4-2-3-5-12(9)18-13-8-10(14)6-7-11(13)15(16)17/h6-9,12H,2-5H2,1H3
InChIKeyIZRNZGOHQTYIBP-UHFFFAOYSA-N
XLogP3.69
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 53.69
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

N-[2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide
CID 67389298
2-(3,4-dimethoxycyclopentyl)oxy-4-fluoro-1-nitrobenzene
CID 76781895
2-(cyclohexylmethoxy)-4-fluoro-1-nitrobenzene
CID 58735850
(3R,3aR,6S,6aS)-6-fluoro-3-(5-fluoro-2-nitrophenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 86718464
4-(5-fluoro-2-nitrophenoxy)cyclopentane-1,2-diol
CID 76781849
1-fluoro-3-(2-methylcyclohexyl)oxy-5-nitrobenzene
CID 80752281
(3S,5S)-3-(5-fluoro-2-nitrophenoxy)-5-methyloxolan-2-one
CID 51923988
(3aR,6R)-6-(5-fluoro-2-nitrophenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 129116227
2-(3-bromocyclobutyl)oxy-4-fluoro-1-nitrobenzene
CID 66343806
4-fluoro-2-[(2-methylpropan-2-yl)oxy]-1-nitrobenzene
CID 71757600
3-(5-fluoro-2-nitrophenoxy)cyclopentan-1-amine
CID 76781898
(3R,3aR,6R,6aS)-3-(5-fluoro-2-nitrophenoxy)-6-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-6-ol
CID 86718462

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-methylcyclohexyl)oxy-1-nitrobenzene?
The IUPAC name of 4-fluoro-2-(2-methylcyclohexyl)oxy-1-nitrobenzene (CID 67386160) is 4-fluoro-2-(2-methylcyclohexyl)oxy-1-nitrobenzene.
What is the SMILES notation for 4-fluoro-2-(2-methylcyclohexyl)oxy-1-nitrobenzene?
The canonical SMILES for 4-fluoro-2-(2-methylcyclohexyl)oxy-1-nitrobenzene is CC1CCCCC1Oc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 4-fluoro-2-(2-methylcyclohexyl)oxy-1-nitrobenzene?
The InChIKey is IZRNZGOHQTYIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-9-4-2-3-5-12(9)18-13-8-10(14)6-7-11(13)15(16)17/h6-9,12H,2-5H2,1H3.
What are the key properties of 4-fluoro-2-(2-methylcyclohexyl)oxy-1-nitrobenzene?
4-fluoro-2-(2-methylcyclohexyl)oxy-1-nitrobenzene has a molecular weight of 253.27 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-methylcyclohexyl)oxy-1-nitrobenzene is sourced from PubChem (CID 67386160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).