4-(2-fluoro-4-nitrophenyl)cyclohexan-1-ol

C12H14FNO3 — CID 59994607

IUPAC4-(2-fluoro-4-nitrophenyl)cyclohexan-1-ol
SMILESO=[N+]([O-])c1ccc(C2CCC(O)CC2)c(F)c1
InChIInChI=1S/C12H14FNO3/c13-12-7-9(14(16)17)3-6-11(12)8-1-4-10(15)5-2-8/h3,6-8,10,15H,1-2,4-5H2
InChIKeyPXNDFTMUWXSKPP-UHFFFAOYSA-N
MW239.25 g/mol
LogP2.75
Rot. Bonds2

About 4-(2-fluoro-4-nitrophenyl)cyclohexan-1-ol

4-(2-fluoro-4-nitrophenyl)cyclohexan-1-ol (PubChem CID 59994607) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 4-(2-fluoro-4-nitrophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-fluoro-4-nitrophenyl)cyclohexan-1-ol
PubChem CID59994607
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name4-(2-fluoro-4-nitrophenyl)cyclohexan-1-ol
SMILESO=[N+]([O-])c1ccc(C2CCC(O)CC2)c(F)c1
InChIInChI=1S/C12H14FNO3/c13-12-7-9(14(16)17)3-6-11(12)8-1-4-10(15)5-2-8/h3,6-8,10,15H,1-2,4-5H2
InChIKeyPXNDFTMUWXSKPP-UHFFFAOYSA-N
XLogP2.75
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-nitrophenyl)cyclohexan-1-ol?
The IUPAC name of 4-(2-fluoro-4-nitrophenyl)cyclohexan-1-ol (CID 59994607) is 4-(2-fluoro-4-nitrophenyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(2-fluoro-4-nitrophenyl)cyclohexan-1-ol?
The canonical SMILES for 4-(2-fluoro-4-nitrophenyl)cyclohexan-1-ol is O=[N+]([O-])c1ccc(C2CCC(O)CC2)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-nitrophenyl)cyclohexan-1-ol?
The InChIKey is PXNDFTMUWXSKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c13-12-7-9(14(16)17)3-6-11(12)8-1-4-10(15)5-2-8/h3,6-8,10,15H,1-2,4-5H2.
What are the key properties of 4-(2-fluoro-4-nitrophenyl)cyclohexan-1-ol?
4-(2-fluoro-4-nitrophenyl)cyclohexan-1-ol has a molecular weight of 239.25 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-nitrophenyl)cyclohexan-1-ol is sourced from PubChem (CID 59994607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).