[1-(2,6-difluoro-4-nitroanilino)cyclobutyl]methanol

C11H12F2N2O3 — CID 103828751

IUPAC[1-(2,6-difluoro-4-nitroanilino)cyclobutyl]methanol
SMILESO=[N+]([O-])c1cc(F)c(NC2(CO)CCC2)c(F)c1
InChIInChI=1S/C11H12F2N2O3/c12-8-4-7(15(17)18)5-9(13)10(8)14-11(6-16)2-1-3-11/h4-5,14,16H,1-3,6H2
InChIKeyGIOZLEWXTMFMEQ-UHFFFAOYSA-N
MW258.22 g/mol
LogP2.20
Rot. Bonds4

About [1-(2,6-difluoro-4-nitroanilino)cyclobutyl]methanol

[1-(2,6-difluoro-4-nitroanilino)cyclobutyl]methanol (PubChem CID 103828751) has the molecular formula C11H12F2N2O3 and a molecular weight of 258.22 g/mol. Its IUPAC name is [1-(2,6-difluoro-4-nitroanilino)cyclobutyl]methanol.

Molecular Properties

Compound Name[1-(2,6-difluoro-4-nitroanilino)cyclobutyl]methanol
PubChem CID103828751
Molecular FormulaC11H12F2N2O3
Molecular Weight258.22 g/mol
Exact Mass258.08
IUPAC Name[1-(2,6-difluoro-4-nitroanilino)cyclobutyl]methanol
SMILESO=[N+]([O-])c1cc(F)c(NC2(CO)CCC2)c(F)c1
InChIInChI=1S/C11H12F2N2O3/c12-8-4-7(15(17)18)5-9(13)10(8)14-11(6-16)2-1-3-11/h4-5,14,16H,1-3,6H2
InChIKeyGIOZLEWXTMFMEQ-UHFFFAOYSA-N
XLogP2.20
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(2,6-difluoro-4-nitroanilino)cyclopropane-1-carboxylic acid
CID 114048043
2-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-4-nitrobenzenesulfonamide
CID 104600274
N-(2,6-difluoro-4-nitrophenyl)-3-methyloxolan-3-amine
CID 113338219
[1-(4-nitroanilino)cyclopentyl]methanol
CID 59683301
[1-[3-nitro-5-(propylamino)anilino]cyclopentyl]methanol
CID 80802785
[1-(4-nitroanilino)cyclohexyl]methanol
CID 62520982
[1-(2-fluoro-4-nitroanilino)-4-methylcyclohexyl]methanol
CID 62526018
2-[1-(2-fluoro-4-nitroanilino)cyclopentyl]acetic acid
CID 64700773
2-[1-[(2,6-difluoro-4-nitroanilino)methyl]cyclopropyl]ethanol
CID 104952979
2-[[1-(hydroxymethyl)cyclobutyl]amino]-5-nitropyridine-3-carboxylic acid
CID 114046863
N-[1-(hydroxymethyl)cyclobutyl]-3-nitrobenzamide
CID 115878142
[4-[(6-amino-4-nitro-2-pyridinyl)amino]oxan-4-yl]methanol
CID 106301141

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-difluoro-4-nitroanilino)cyclobutyl]methanol?
The IUPAC name of [1-(2,6-difluoro-4-nitroanilino)cyclobutyl]methanol (CID 103828751) is [1-(2,6-difluoro-4-nitroanilino)cyclobutyl]methanol.
What is the SMILES notation for [1-(2,6-difluoro-4-nitroanilino)cyclobutyl]methanol?
The canonical SMILES for [1-(2,6-difluoro-4-nitroanilino)cyclobutyl]methanol is O=[N+]([O-])c1cc(F)c(NC2(CO)CCC2)c(F)c1.
What is the InChIKey of [1-(2,6-difluoro-4-nitroanilino)cyclobutyl]methanol?
The InChIKey is GIOZLEWXTMFMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3/c12-8-4-7(15(17)18)5-9(13)10(8)14-11(6-16)2-1-3-11/h4-5,14,16H,1-3,6H2.
What are the key properties of [1-(2,6-difluoro-4-nitroanilino)cyclobutyl]methanol?
[1-(2,6-difluoro-4-nitroanilino)cyclobutyl]methanol has a molecular weight of 258.22 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-difluoro-4-nitroanilino)cyclobutyl]methanol is sourced from PubChem (CID 103828751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).