2-[(4-fluorooxolan-3-yl)amino]cyclohexan-1-one

C10H16FNO2 — CID 126856366

IUPAC2-[(4-fluorooxolan-3-yl)amino]cyclohexan-1-one
SMILESO=C1CCCCC1NC1COCC1F
InChIInChI=1S/C10H16FNO2/c11-7-5-14-6-9(7)12-8-3-1-2-4-10(8)13/h7-9,12H,1-6H2
InChIKeyLCMKPRURCMAXGS-UHFFFAOYSA-N
MW201.24 g/mol
LogP0.82
Rot. Bonds2

About 2-[(4-fluorooxolan-3-yl)amino]cyclohexan-1-one

2-[(4-fluorooxolan-3-yl)amino]cyclohexan-1-one (PubChem CID 126856366) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is 2-[(4-fluorooxolan-3-yl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(4-fluorooxolan-3-yl)amino]cyclohexan-1-one
PubChem CID126856366
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name2-[(4-fluorooxolan-3-yl)amino]cyclohexan-1-one
SMILESO=C1CCCCC1NC1COCC1F
InChIInChI=1S/C10H16FNO2/c11-7-5-14-6-9(7)12-8-3-1-2-4-10(8)13/h7-9,12H,1-6H2
InChIKeyLCMKPRURCMAXGS-UHFFFAOYSA-N
XLogP0.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-Fluorocyclohexyl)amino]oxolan-2-one
CID 130962030
2-(2-Methoxyethylamino)cyclohexan-1-one
CID 146369823
2-[Methyl(oxolan-3-yl)amino]cyclohexan-1-one
CID 82742473

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorooxolan-3-yl)amino]cyclohexan-1-one?
The IUPAC name of 2-[(4-fluorooxolan-3-yl)amino]cyclohexan-1-one (CID 126856366) is 2-[(4-fluorooxolan-3-yl)amino]cyclohexan-1-one.
What is the SMILES notation for 2-[(4-fluorooxolan-3-yl)amino]cyclohexan-1-one?
The canonical SMILES for 2-[(4-fluorooxolan-3-yl)amino]cyclohexan-1-one is O=C1CCCCC1NC1COCC1F.
What is the InChIKey of 2-[(4-fluorooxolan-3-yl)amino]cyclohexan-1-one?
The InChIKey is LCMKPRURCMAXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO2/c11-7-5-14-6-9(7)12-8-3-1-2-4-10(8)13/h7-9,12H,1-6H2.
What are the key properties of 2-[(4-fluorooxolan-3-yl)amino]cyclohexan-1-one?
2-[(4-fluorooxolan-3-yl)amino]cyclohexan-1-one has a molecular weight of 201.24 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorooxolan-3-yl)amino]cyclohexan-1-one is sourced from PubChem (CID 126856366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).