N-[(3-fluoro-3-methylcyclobutyl)methyl]oxan-3-amine

C11H20FNO — CID 170209763

IUPACN-[(3-fluoro-3-methylcyclobutyl)methyl]oxan-3-amine
SMILESCC1(F)CC(CNC2CCCOC2)C1
InChIInChI=1S/C11H20FNO/c1-11(12)5-9(6-11)7-13-10-3-2-4-14-8-10/h9-10,13H,2-8H2,1H3
InChIKeyWFKKKAWDLLLQNG-UHFFFAOYSA-N
MW201.28 g/mol
LogP1.89
Rot. Bonds3

About N-[(3-fluoro-3-methylcyclobutyl)methyl]oxan-3-amine

N-[(3-fluoro-3-methylcyclobutyl)methyl]oxan-3-amine (PubChem CID 170209763) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is N-[(3-fluoro-3-methylcyclobutyl)methyl]oxan-3-amine.

Molecular Properties

Compound NameN-[(3-fluoro-3-methylcyclobutyl)methyl]oxan-3-amine
PubChem CID170209763
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC NameN-[(3-fluoro-3-methylcyclobutyl)methyl]oxan-3-amine
SMILESCC1(F)CC(CNC2CCCOC2)C1
InChIInChI=1S/C11H20FNO/c1-11(12)5-9(6-11)7-13-10-3-2-4-14-8-10/h9-10,13H,2-8H2,1H3
InChIKeyWFKKKAWDLLLQNG-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-3-methylcyclobutyl)methyl]oxan-3-amine?
The IUPAC name of N-[(3-fluoro-3-methylcyclobutyl)methyl]oxan-3-amine (CID 170209763) is N-[(3-fluoro-3-methylcyclobutyl)methyl]oxan-3-amine.
What is the SMILES notation for N-[(3-fluoro-3-methylcyclobutyl)methyl]oxan-3-amine?
The canonical SMILES for N-[(3-fluoro-3-methylcyclobutyl)methyl]oxan-3-amine is CC1(F)CC(CNC2CCCOC2)C1.
What is the InChIKey of N-[(3-fluoro-3-methylcyclobutyl)methyl]oxan-3-amine?
The InChIKey is WFKKKAWDLLLQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-11(12)5-9(6-11)7-13-10-3-2-4-14-8-10/h9-10,13H,2-8H2,1H3.
What are the key properties of N-[(3-fluoro-3-methylcyclobutyl)methyl]oxan-3-amine?
N-[(3-fluoro-3-methylcyclobutyl)methyl]oxan-3-amine has a molecular weight of 201.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-3-methylcyclobutyl)methyl]oxan-3-amine is sourced from PubChem (CID 170209763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).