N-[(3,3-difluorocyclobutyl)methyl]cyclobutanamine

C9H15F2N — CID 130731920

IUPACN-[(3,3-difluorocyclobutyl)methyl]cyclobutanamine
SMILESFC1(F)CC(CNC2CCC2)C1
InChIInChI=1S/C9H15F2N/c10-9(11)4-7(5-9)6-12-8-2-1-3-8/h7-8,12H,1-6H2
InChIKeyAEFIIZBILNUXJS-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.17
Rot. Bonds3

About N-[(3,3-difluorocyclobutyl)methyl]cyclobutanamine

N-[(3,3-difluorocyclobutyl)methyl]cyclobutanamine (PubChem CID 130731920) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is N-[(3,3-difluorocyclobutyl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclobutyl)methyl]cyclobutanamine
PubChem CID130731920
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC NameN-[(3,3-difluorocyclobutyl)methyl]cyclobutanamine
SMILESFC1(F)CC(CNC2CCC2)C1
InChIInChI=1S/C9H15F2N/c10-9(11)4-7(5-9)6-12-8-2-1-3-8/h7-8,12H,1-6H2
InChIKeyAEFIIZBILNUXJS-UHFFFAOYSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]cyclobutanamine?
The IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]cyclobutanamine (CID 130731920) is N-[(3,3-difluorocyclobutyl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(3,3-difluorocyclobutyl)methyl]cyclobutanamine?
The canonical SMILES for N-[(3,3-difluorocyclobutyl)methyl]cyclobutanamine is FC1(F)CC(CNC2CCC2)C1.
What is the InChIKey of N-[(3,3-difluorocyclobutyl)methyl]cyclobutanamine?
The InChIKey is AEFIIZBILNUXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c10-9(11)4-7(5-9)6-12-8-2-1-3-8/h7-8,12H,1-6H2.
What are the key properties of N-[(3,3-difluorocyclobutyl)methyl]cyclobutanamine?
N-[(3,3-difluorocyclobutyl)methyl]cyclobutanamine has a molecular weight of 175.22 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclobutyl)methyl]cyclobutanamine is sourced from PubChem (CID 130731920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).